2-[1-carbamimidoyl-2-[4-(2-phenylpropan-2-yl)phenyl]piperidin-4-yl]propanoate hydrochloride

Systemtic Name: 2-[1-carbamimidoyl-2-[4-(2-phenylpropan-2-yl)phenyl]piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[1-carbamimidoyl-2-[4-(1-methyl-1-phenyl-ethyl)phenyl]-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-[4-(2-phenylpropan-2-yl)phenyl]-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-[4-(2-phenylpropan-2-yl)phenyl]piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(4-cumylphenyl)-4-piperidyl]propionate hydrochloride Formula: C24H31ClN3O2- MolecularWeight: 428.97484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)C(=N)N)C(=O)[O-].Cl

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)C(=N)N)C(=O)[O-].Cl

InChI

InChI=1S/C24H31N3O2.ClH/c1-16(22(28)29)18-13-14-27(23(25)26)21(15-18)17-9-11-20(12-10-17)24(2,3)19-7-5-4-6-8-19;/h4-12,16,18,21H,13-15H2,1-3H3,(H3,25,26)(H,28,29);1H/p-1