[4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-carboxy-phenyl]carbonyl-cyclopentyl-dimethyl-azanium

Systemtic Name: [4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-carboxy-phenyl]carbonyl-cyclopentyl-dimethyl-azanium Openeye Name: [4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-carboxy-benzoyl]-cyclopentyl-dimethyl-ammonium CAS Name: [[4-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-3-carboxyphenyl]-oxomethyl]-cyclopentyl-dimethylammonium IUPAC Name: [4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-carboxybenzoyl]-cyclopentyl-dimethylazanium Traditional Name: [4-[2-[(4-amidinophenyl)carbamoyl]phenyl]-3-carboxy-benzoyl]-cyclopentyl-dimethyl-ammonium Formula: C29H31N4O4+ MolecularWeight: 499.58084

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1CCCC1)C(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C[N+](C)(C1CCCC1)C(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C29H30N4O4/c1-33(2,21-7-3-4-8-21)28(35)19-13-16-23(25(17-19)29(36)37)22-9-5-6-10-24(22)27(34)32-20-14-11-18(12-15-20)26(30)31/h5-6,9-17,21H,3-4,7-8H2,1-2H3,(H4-,30,31,32,34,36,37)/p+1