2-[(2S)-1-cyclohexyl-4-[1-(3-methoxyphenyl)piperidin-4-yl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[1-(3-methoxyphenyl)piperidin-4-yl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[1-(3-methoxyphenyl)-4-piperidyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[1-(3-methoxyphenyl)-4-piperidinyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[1-(3-methoxyphenyl)piperidin-4-yl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[1-(3-methoxyphenyl)-4-piperidyl]piperazin-4-ium-2-yl]ethanol Formula: C24H40N3O2+ MolecularWeight: 402.5933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCC(CC2)[NH+]3CCN(C(C3)CCO)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCC(CC2)[NH+]3CCN([C@H](C3)CCO)C4CCCCC4

InChI

InChI=1S/C24H39N3O2/c1-29-24-9-5-8-22(18-24)25-13-10-20(11-14-25)26-15-16-27(23(19-26)12-17-28)21-6-3-2-4-7-21/h5,8-9,18,20-21,23,28H,2-4,6-7,10-17,19H2,1H3/p+1/t23-/m0/s1