2-methoxy-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide hydrate hydrochloride

Systemtic Name: 2-methoxy-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide hydrate hydrochloride Openeye Name: N-(1-benzyl-4-piperidyl)-2-methoxy-5-nitro-benzamide hydrate hydrochloride CAS Name: 2-methoxy-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzamide hydrate hydrochloride IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-methoxy-5-nitrobenzamide hydrate hydrochloride Traditional Name: N-(1-benzyl-4-piperidyl)-2-methoxy-5-nitro-benzamide hydrate hydrochloride Formula: C20H26ClN3O5 MolecularWeight: 423.89054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=CC=C3.O.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=CC=C3.O.Cl

InChI

InChI=1S/C20H23N3O4.ClH.H2O/c1-27-19-8-7-17(23(25)26)13-18(19)20(24)21-16-9-11-22(12-10-16)14-15-5-3-2-4-6-15;;/h2-8,13,16H,9-12,14H2,1H3,(H,21,24);1H;1H2