1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethylphenyl)methyl]-4-methyl-2H-indol-1-ium-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethylphenyl)methyl]-4-methyl-2H-indol-1-ium-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethylphenyl)methyl]-4-methyl-2H-indol-1-ium-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethylphenyl)methyl]-4-methyl-2H-indol-1-ium-2-carboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethylphenyl)methyl]-4-methyl-2H-indol-1-ium-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-(3,5-dimethylbenzyl)-4-methyl-2H-indol-1-ium-2-carboxamide Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=[N+](C(C=C12)C(=O)NCC3=CC(=CC(=C3)C)C)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=CC=CC2=[N+](C(C=C12)C(=O)NCC3=CC(=CC(=C3)C)C)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H28N4O/c1-17-10-18(2)12-21(11-17)15-30-27(32)25-14-23-19(3)6-4-9-24(23)31(25)16-20-7-5-8-22(13-20)26(28)29/h4-14,25H,15-16H2,1-3H3,(H3-,28,29,30,32)/p+1