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

Systemtic Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]carbonylamino]butanoate Openeye Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(1-oxido-4-pyridin-1-iumyl)phenyl]-oxomethyl]amino]butanoate IUPAC Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butyrate Formula: C24H23N4O4- MolecularWeight: 431.46382

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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)[O-]

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)[O-]

InChI

InChI=1S/C24H24N4O4/c1-15(21(24(30)31)14-16-3-2-4-20(13-16)22(25)26)27-23(29)19-7-5-17(6-8-19)18-9-11-28(32)12-10-18/h2-13,15,21H,14H2,1H3,(H3,25,26)(H,27,29)(H,30,31)/p-1