2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]carbonylamino]butanoic acid Openeye Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butanoic acid CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(1-methyl-4-pyridin-1-iumyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butanoic acid Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butyric acid Formula: C25H27N4O3+ MolecularWeight: 431.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)C

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)C

InChI

InChI=1S/C25H26N4O3/c1-16(22(25(31)32)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(2)13-11-19/h3-14,16,22H,15H2,1-2H3,(H4-,26,27,28,30,31,32)/p+1