ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]amino]ethanoate hydrochloride

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]amino]ethanoate hydrochloride Openeye Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-1-ium-1-yl]amino]acetate hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]amino]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]amino]acetate hydrochloride Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-5-(2-keto-1-methyl-2-pyrrolidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]acetic acid ethyl ester hydrochloride Formula: C27H37ClN7O3+ MolecularWeight: 543.08078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN[N+]1(C2=C(C=C(C=C2)C(C)C(=O)N3CCCC3)N=C1CNC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CN[N+]1(C2=C(C=C(C=C2)C(C)C(=O)N3CCCC3)N=C1CNC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C27H36N7O3.ClH/c1-4-37-25(35)17-31-34(3)23-12-9-20(18(2)27(36)33-13-5-6-14-33)15-22(23)32-24(34)16-30-21-10-7-19(8-11-21)26(28)29;/h7-12,15,18,30-31H,4-6,13-14,16-17H2,1-3H3,(H3,28,29);1H/q+1;