methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-2-yl)thiophen-2-yl]carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-2-yl)thiophen-2-yl]carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-2-yl)thiophene-2-carbonyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(1-methyl-2-pyridin-1-iumyl)-2-thiophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-2-yl)thiophene-2-carbonyl]amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(1-methylpyridin-1-ium-2-yl)thiophene-2-carbonyl]amino]butyric acid methyl ester Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC(=CS2)C3=CC=CC=[N+]3C

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC(=CS2)C3=CC=CC=[N+]3C

InChI

InChI=1S/C24H26N4O3S/c1-15(19(24(30)31-3)12-16-7-6-8-17(11-16)22(25)26)27-23(29)21-13-18(14-32-21)20-9-4-5-10-28(20)2/h4-11,13-15,19H,12H2,1-3H3,(H3-,25,26,27,29)/p+1