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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(1-oxidopyridin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(1-oxido-4-pyridin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(1-oxidopyridin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-methyl-N-[(1-oxidopyridin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C24H23N5O2/c1-16-4-2-7-21-20(16)13-22(24(30)27-14-17-8-10-28(31)11-9-17)29(21)15-18-5-3-6-19(12-18)23(25)26/h2-13H,14-15H2,1H3,(H3,25,26)(H,27,30)