phenyl-[2,2,6-trimethyl-3-piperazin-1-yl-3-(2-propan-2-yloxyphenyl)piperidin-1-yl]methanone hydrochloride

Systemtic Name: phenyl-[2,2,6-trimethyl-3-piperazin-1-yl-3-(2-propan-2-yloxyphenyl)piperidin-1-yl]methanone hydrochloride Openeye Name: [3-(2-isopropoxyphenyl)-2,2,6-trimethyl-3-piperazin-1-yl-1-piperidyl]-phenyl-methanone hydrochloride CAS Name: phenyl-[2,2,6-trimethyl-3-(1-piperazinyl)-3-(2-propan-2-yloxyphenyl)-1-piperidinyl]methanone hydrochloride IUPAC Name: phenyl-[2,2,6-trimethyl-3-piperazin-1-yl-3-(2-propan-2-yloxyphenyl)piperidin-1-yl]methanone hydrochloride Traditional Name: [3-(2-isopropoxyphenyl)-2,2,6-trimethyl-3-piperazino-piperidino]-phenyl-methanone hydrochloride Formula: C28H40ClN3O2 MolecularWeight: 486.0891

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(N1C(=O)C2=CC=CC=C2)(C)C)(C3=CC=CC=C3OC(C)C)N4CCNCC4.Cl

Isomeric SMILES

CC1CCC(C(N1C(=O)C2=CC=CC=C2)(C)C)(C3=CC=CC=C3OC(C)C)N4CCNCC4.Cl

InChI

InChI=1S/C28H39N3O2.ClH/c1-21(2)33-25-14-10-9-13-24(25)28(30-19-17-29-18-20-30)16-15-22(3)31(27(28,4)5)26(32)23-11-7-6-8-12-23;/h6-14,21-22,29H,15-20H2,1-5H3;1H