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

Systemtic Name: 3-[4-[1-(1-carbamimidoylpiperidin-4-yl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[1-(1-carbamimidoyl-4-piperidyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[1-(1-carbamimidoyl-4-piperidinyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[1-(1-carbamimidoylpiperidin-4-yl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[1-(1-amidino-4-piperidyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid hydrochloride Formula: C20H27ClN4O4 MolecularWeight: 422.90578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2CCN(CC2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O.Cl

Isomeric SMILES

COC1=C(C(=O)N(C1)C2CCN(CC2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O.Cl

InChI

InChI=1S/C20H26N4O4.ClH/c1-28-16-12-24(15-8-10-23(11-9-15)20(21)22)19(27)18(16)14-5-2-13(3-6-14)4-7-17(25)26;/h2-3,5-6,15H,4,7-12H2,1H3,(H3,21,22)(H,25,26);1H