[1-[2-cyclopentyl-2-(3-methylphenyl)-2-oxidanyl-ethanoyl]piperidin-4-yl]-dimethyl-phenethyl-azanium

Systemtic Name: [1-[2-cyclopentyl-2-(3-methylphenyl)-2-oxidanyl-ethanoyl]piperidin-4-yl]-dimethyl-phenethyl-azanium Openeye Name: [1-[2-cyclopentyl-2-hydroxy-2-(m-tolyl)acetyl]-4-piperidyl]-dimethyl-phenethyl-ammonium CAS Name: [1-[2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)-1-oxoethyl]-4-piperidinyl]-dimethyl-phenethylammonium IUPAC Name: [1-[2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetyl]piperidin-4-yl]-dimethyl-phenethylazanium Traditional Name: [1-[2-cyclopentyl-2-hydroxy-2-(m-tolyl)acetyl]-4-piperidyl]-dimethyl-phenethyl-ammonium Formula: C29H41N2O2+ MolecularWeight: 449.64804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2CCCC2)(C(=O)N3CCC(CC3)[N+](C)(C)CCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2CCCC2)(C(=O)N3CCC(CC3)[N+](C)(C)CCC4=CC=CC=C4)O

InChI

InChI=1S/C29H41N2O2/c1-23-10-9-15-26(22-23)29(33,25-13-7-8-14-25)28(32)30-19-16-27(17-20-30)31(2,3)21-18-24-11-5-4-6-12-24/h4-6,9-12,15,22,25,27,33H,7-8,13-14,16-21H2,1-3H3/q+1