[4-(2-phenylpropan-2-yl)phenyl] 1-carbamimidoylpiperidine-4-carboxylate hydrochloride

Systemtic Name: [4-(2-phenylpropan-2-yl)phenyl] 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Openeye Name: [4-(1-methyl-1-phenyl-ethyl)phenyl] 1-carbamimidoylpiperidine-4-carboxylate hydrochloride CAS Name: 1-carbamimidoyl-4-piperidinecarboxylic acid [4-(2-phenylpropan-2-yl)phenyl] ester hydrochloride IUPAC Name: [4-(2-phenylpropan-2-yl)phenyl] 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-amidinoisonipecotic acid (4-cumylphenyl) ester hydrochloride Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=N)N.Cl

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=N)N.Cl

InChI

InChI=1S/C22H27N3O2.ClH/c1-22(2,17-6-4-3-5-7-17)18-8-10-19(11-9-18)27-20(26)16-12-14-25(15-13-16)21(23)24;/h3-11,16H,12-15H2,1-2H3,(H3,23,24);1H