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

Systemtic Name: propan-2-yl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]carbonylamino]butanoate Openeye Name: isopropyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(1-methyl-4-pyridin-1-iumyl)phenyl]-oxomethyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(1-methylpyridin-1-ium-4-yl)benzoyl]amino]butyric acid isopropyl ester Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O3/c1-18(2)35-28(34)25(17-20-6-5-7-24(16-20)26(29)30)19(3)31-27(33)23-10-8-21(9-11-23)22-12-14-32(4)15-13-22/h5-16,18-19,25H,17H2,1-4H3,(H3-,29,30,31,33)/p+1