4-[(1-butyl-3-oxidanyl-piperidin-4-yl)methyl]-5-chloranyl-2,3-dimethoxy-benzamide hydrate

Systemtic Name: 4-[(1-butyl-3-oxidanyl-piperidin-4-yl)methyl]-5-chloranyl-2,3-dimethoxy-benzamide hydrate Openeye Name: 4-[(1-butyl-3-hydroxy-4-piperidyl)methyl]-5-chloro-2,3-dimethoxy-benzamide hydrate CAS Name: 4-[(1-butyl-3-hydroxy-4-piperidinyl)methyl]-5-chloro-2,3-dimethoxybenzamide hydrate IUPAC Name: 4-[(1-butyl-3-hydroxypiperidin-4-yl)methyl]-5-chloro-2,3-dimethoxybenzamide hydrate Traditional Name: 4-[(1-butyl-3-hydroxy-4-piperidyl)methyl]-5-chloro-2,3-dimethoxy-benzamide hydrate Formula: C19H31ClN2O5 MolecularWeight: 402.91284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)O)CC2=C(C=C(C(=C2OC)OC)C(=O)N)Cl.O

Isomeric SMILES

CCCCN1CCC(C(C1)O)CC2=C(C=C(C(=C2OC)OC)C(=O)N)Cl.O

InChI

InChI=1S/C19H29ClN2O4.H2O/c1-4-5-7-22-8-6-12(16(23)11-22)9-13-15(20)10-14(19(21)24)18(26-3)17(13)25-2;/h10,12,16,23H,4-9,11H2,1-3H3,(H2,21,24);1H2