[4-[3-(cyclohex-3-en-1-ylmethoxy)-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone hydrochloride

Systemtic Name: [4-[3-(cyclohex-3-en-1-ylmethoxy)-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone hydrochloride Openeye Name: [4-[3-(cyclohex-3-en-1-ylmethoxy)-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone hydrochloride CAS Name: [4-[3-(1-cyclohex-3-enylmethoxy)-2-hydroxypropyl]-1-piperazinyl]-phenylmethanone hydrochloride IUPAC Name: [4-[3-(cyclohex-3-en-1-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone hydrochloride Traditional Name: [4-[3-(cyclohex-3-en-1-ylmethoxy)-2-hydroxy-propyl]piperazino]-phenyl-methanone hydrochloride Formula: C21H31ClN2O3 MolecularWeight: 394.93544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)COCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O.Cl

Isomeric SMILES

C1CC(CC=C1)COCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C21H30N2O3.ClH/c24-20(17-26-16-18-7-3-1-4-8-18)15-22-11-13-23(14-12-22)21(25)19-9-5-2-6-10-19;/h1-3,5-6,9-10,18,20,24H,4,7-8,11-17H2;1H