1-[(3-carbamimidoylphenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-3-methyl-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC=[N+](C=C4)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC=[N+](C=C4)C

InChI

InChI=1S/C25H25N5O/c1-17-21-8-3-4-9-22(21)30(16-19-6-5-7-20(14-19)24(26)27)23(17)25(31)28-15-18-10-12-29(2)13-11-18/h3-14H,15-16H2,1-2H3,(H3-,26,27,28,31)/p+1