2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]carbonyl-1-(3-oxidanylpropyl)pyrrolidin-1-ium-1-carboxamide

Systemtic Name: 2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]carbonyl-1-(3-oxidanylpropyl)pyrrolidin-1-ium-1-carboxamide Openeye Name: 2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]-1-(3-hydroxypropyl)pyrrolidin-1-ium-1-carboxamide CAS Name: 2-[[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-1-pyrrolidinyl]-oxomethyl]-1-(3-hydroxypropyl)-1-pyrrolidin-1-iumcarboxamide IUPAC Name: 2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]-1-(3-hydroxypropyl)pyrrolidin-1-ium-1-carboxamide Traditional Name: 2-[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]-1-(3-hydroxypropyl)pyrrolidin-1-ium-1-carboxamide Formula: C26H39N6O3+ MolecularWeight: 483.62626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)C4CCC[N+]4(CCCO)C(=O)N

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)C4CCC[N+]4(CCCO)C(=O)N

InChI

InChI=1S/C26H38N6O3/c1-2-30-21(16-18-8-9-19(24(27)28)17-22(18)30)11-10-20-6-3-12-31(20)25(34)23-7-4-13-32(23,26(29)35)14-5-15-33/h8-9,16-17,20,23,33H,2-7,10-15H2,1H3,(H4-,27,28,29,35)/p+1