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

Systemtic Name: (2-methoxy-4-prop-2-enyl-phenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Openeye Name: (4-allyl-2-methoxy-phenyl) 3-(1-carbamimidoyl-4-piperidyl)propanoate hydrochloride CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid (2-methoxy-4-prop-2-enylphenyl) ester hydrochloride IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid (4-allyl-2-methoxy-phenyl) ester hydrochloride Formula: C19H28ClN3O3 MolecularWeight: 381.89692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3.ClH/c1-3-4-15-5-7-16(17(13-15)24-2)25-18(23)8-6-14-9-11-22(12-10-14)19(20)21;/h3,5,7,13-14H,1,4,6,8-12H2,2H3,(H3,20,21);1H