(4-methanoyl-2-methoxy-phenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Openeye Name: (4-formyl-2-methoxy-phenyl) 3-(1-carbamimidoyl-4-piperidyl)propanoate hydrochloride CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid (4-formyl-2-methoxyphenyl) ester hydrochloride IUPAC Name: (4-formyl-2-methoxyphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid (4-formyl-2-methoxy-phenyl) ester hydrochloride Formula: C17H24ClN3O4 MolecularWeight: 369.84316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC(=O)CCC2CCN(CC2)C(=N)N.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)CCC2CCN(CC2)C(=N)N.Cl

InChI

InChI=1S/C17H23N3O4.ClH/c1-23-15-10-13(11-21)2-4-14(15)24-16(22)5-3-12-6-8-20(9-7-12)17(18)19;/h2,4,10-12H,3,5-9H2,1H3,(H3,18,19);1H