2-[(2S)-1-(cyclohexylmethyl)-4-[1-(2-methylphenyl)piperidin-4-yl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(2-methylphenyl)piperidin-4-yl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(o-tolyl)-4-piperidyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(2-methylphenyl)-4-piperidinyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(2-methylphenyl)piperidin-4-yl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[1-(o-tolyl)-4-piperidyl]piperazin-1-ium-2-yl]ethanol Formula: C25H42N3O+ MolecularWeight: 400.62048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCC(CC2)N3CC[NH+](C(C3)CCO)CC4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCC(CC2)N3CC[NH+]([C@H](C3)CCO)CC4CCCCC4

InChI

InChI=1S/C25H41N3O/c1-21-7-5-6-10-25(21)26-14-11-23(12-15-26)28-17-16-27(24(20-28)13-18-29)19-22-8-3-2-4-9-22/h5-7,10,22-24,29H,2-4,8-9,11-20H2,1H3/p+1/t24-/m0/s1