3-[1-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-4-phenyl-2H-pyrrol-3-yl]piperidin-4-yl]propanoic acid hydrochloride

Systemtic Name: 3-[1-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-4-phenyl-2H-pyrrol-3-yl]piperidin-4-yl]propanoic acid hydrochloride Openeye Name: 3-[1-[1-(4-carbamimidoylphenyl)-5-oxo-4-phenyl-2H-pyrrol-3-yl]-4-piperidyl]propanoic acid hydrochloride CAS Name: 3-[1-[1-(4-carbamimidoylphenyl)-5-oxo-4-phenyl-2H-pyrrol-3-yl]-4-piperidinyl]propanoic acid hydrochloride IUPAC Name: 3-[1-[1-(4-carbamimidoylphenyl)-5-oxo-4-phenyl-2H-pyrrol-3-yl]piperidin-4-yl]propanoic acid hydrochloride Traditional Name: 3-[1-[1-(4-amidinophenyl)-5-keto-4-phenyl-3-pyrrolin-3-yl]-4-piperidyl]propionic acid hydrochloride Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)O)C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1CCC(=O)O)C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H28N4O3.ClH/c26-24(27)19-7-9-20(10-8-19)29-16-21(23(25(29)32)18-4-2-1-3-5-18)28-14-12-17(13-15-28)6-11-22(30)31;/h1-5,7-10,17H,6,11-16H2,(H3,26,27)(H,30,31);1H