4-acetamido-5-chloranyl-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-methoxy-benzamide hydrate hydrochloride

Systemtic Name: 4-acetamido-5-chloranyl-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-methoxy-benzamide hydrate hydrochloride Openeye Name: 4-acetamido-5-chloro-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-methoxy-benzamide hydrate hydrochloride CAS Name: 4-acetamido-5-chloro-N-[1-(1-cyclohexa-1,3-dienylmethyl)-4-piperidinyl]-2-methoxybenzamide hydrate hydrochloride IUPAC Name: 4-acetamido-5-chloro-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-methoxybenzamide hydrate hydrochloride Traditional Name: 4-acetamido-5-chloro-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-methoxy-benzamide hydrate hydrochloride Formula: C22H31Cl2N3O4 MolecularWeight: 472.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CC3=CC=CCC3)Cl.O.Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CC3=CC=CCC3)Cl.O.Cl

InChI

InChI=1S/C22H28ClN3O3.ClH.H2O/c1-15(27)24-20-13-21(29-2)18(12-19(20)23)22(28)25-17-8-10-26(11-9-17)14-16-6-4-3-5-7-16;;/h3-4,6,12-13,17H,5,7-11,14H2,1-2H3,(H,24,27)(H,25,28);1H;1H2