(2-prop-2-enylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride

Systemtic Name: (2-prop-2-enylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Openeye Name: (2-allylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride CAS Name: 1-carbamimidoyl-4-piperidinecarboxylic acid (2-prop-2-enylphenyl) ester hydrochloride IUPAC Name: (2-prop-2-enylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-amidinoisonipecotic acid (2-allylphenyl) ester hydrochloride Formula: C16H22ClN3O2 MolecularWeight: 323.81778

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OC(=O)C2CCN(CC2)C(=N)N.Cl

Isomeric SMILES

C=CCC1=CC=CC=C1OC(=O)C2CCN(CC2)C(=N)N.Cl

InChI

InChI=1S/C16H21N3O2.ClH/c1-2-5-12-6-3-4-7-14(12)21-15(20)13-8-10-19(11-9-13)16(17)18;/h2-4,6-7,13H,1,5,8-11H2,(H3,17,18);1H