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

Systemtic Name: 2-[(2S)-4-[1-(2-methoxyphenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[1-(2-methoxyphenyl)-4-piperidyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[1-(2-methoxyphenyl)-4-piperidinyl]-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[1-(2-methoxyphenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[1-(2-methoxyphenyl)-4-piperidyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C27H40N3O2+ MolecularWeight: 438.6254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCN(C(C3)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCN([C@H](C3)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H39N3O2/c1-32-27-12-6-5-11-26(27)29-17-13-24(14-18-29)30-20-19-28(25(22-30)15-21-31)16-7-10-23-8-3-2-4-9-23/h2-6,8-9,11-12,24-25,31H,7,10,13-22H2,1H3/p+1/t25-/m0/s1