(4-methylphenyl) 3-(1-carbamimidoylpiperidin-3-yl)propanoate hydrochloride

Systemtic Name: (4-methylphenyl) 3-(1-carbamimidoylpiperidin-3-yl)propanoate hydrochloride Openeye Name: p-tolyl 3-(1-carbamimidoyl-3-piperidyl)propanoate hydrochloride CAS Name: 3-(1-carbamimidoyl-3-piperidinyl)propanoic acid (4-methylphenyl) ester hydrochloride IUPAC Name: (4-methylphenyl) 3-(1-carbamimidoylpiperidin-3-yl)propanoate hydrochloride Traditional Name: 3-(1-amidino-3-piperidyl)propionic acid p-tolyl ester hydrochloride Formula: C16H24ClN3O2 MolecularWeight: 325.83366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CCC2CCCN(C2)C(=N)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CCC2CCCN(C2)C(=N)N.Cl

InChI

InChI=1S/C16H23N3O2.ClH/c1-12-4-7-14(8-5-12)21-15(20)9-6-13-3-2-10-19(11-13)16(17)18;/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H3,17,18);1H