N-(5-chloranyl-2-methoxy-phenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide hydrate hydrochloride

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide hydrate hydrochloride Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(p-tolylmethyl)piperidine-4-carboxamide hydrate hydrochloride CAS Name: N-(5-chloro-2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-4-piperidinecarboxamide hydrate hydrochloride IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide hydrate hydrochloride Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(4-methylbenzyl)isonipecotamide hydrate hydrochloride Formula: C21H28Cl2N2O3 MolecularWeight: 427.36462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC.O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC.O.Cl

InChI

InChI=1S/C21H25ClN2O2.ClH.H2O/c1-15-3-5-16(6-4-15)14-24-11-9-17(10-12-24)21(25)23-19-13-18(22)7-8-20(19)26-2;;/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25);1H;1H2