2-[2-(3-aminophenyl)-1-methylidene-4-oxidanylidene-5-(propan-2-ylamino)pyridin-1-ium-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3-aminophenyl)-1-methylidene-4-oxidanylidene-5-(propan-2-ylamino)pyridin-1-ium-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[2-(3-aminophenyl)-5-(isopropylamino)-1-methylene-4-oxo-pyridin-1-ium-3-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[2-(3-aminophenyl)-1-methylene-4-oxo-5-(propan-2-ylamino)-3-pyridin-1-iumyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[2-(3-aminophenyl)-1-methylidene-4-oxo-5-(propan-2-ylamino)pyridin-1-ium-3-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-5-(isopropylamino)-4-keto-1-methylene-pyridin-1-ium-3-yl]acetamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C[N+](=C)C(=C(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)N

Isomeric SMILES

CC(C)NC1=C[N+](=C)C(=C(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)N

InChI

InChI=1S/C25H28N6O2/c1-15(2)30-21-14-31(3)23(18-5-4-6-19(26)11-18)20(24(21)33)12-22(32)29-13-16-7-9-17(10-8-16)25(27)28/h4-11,14-15,30H,3,12-13,26H2,1-2H3,(H3-,27,28,29,32)/p+1