2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-[1-(diethylamino)-1-oxidanylidene-propan-2-yl]-1-methyl-benzimidazol-1-ium-1-yl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-[1-(diethylamino)-1-oxidanylidene-propan-2-yl]-1-methyl-benzimidazol-1-ium-1-yl]amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[2-(diethylamino)-1-methyl-2-oxo-ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[1-(diethylamino)-1-oxopropan-2-yl]-1-methyl-1-benzimidazol-1-iumyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[1-(diethylamino)-1-oxopropan-2-yl]-1-methylbenzimidazol-1-ium-1-yl]amino]acetic acid Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-5-[2-(diethylamino)-2-keto-1-methyl-ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]acetic acid Formula: C25H34N7O3+ MolecularWeight: 480.58256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NCC(=O)O

Isomeric SMILES

CCN(CC)C(=O)C(C)C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NCC(=O)O

InChI

InChI=1S/C25H33N7O3/c1-5-31(6-2)25(35)16(3)18-9-12-21-20(13-18)30-22(32(21,4)29-15-23(33)34)14-28-19-10-7-17(8-11-19)24(26)27/h7-13,16,29H,5-6,14-15H2,1-4H3,(H4-,26,27,28,33,34)/p+1