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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)-4-piperidyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)-4-piperidinyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)-4-piperidyl]piperazin-4-ium-2-yl]ethanol Formula: C25H42N3O+ MolecularWeight: 400.62048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCC(CC2)[NH+]3CCN(C(C3)CCO)C4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCC(CC2)[NH+]3CCN([C@H](C3)CCO)C4CCCCC4)C

InChI

InChI=1S/C25H41N3O/c1-20-7-6-10-25(21(20)2)26-14-11-22(12-15-26)27-16-17-28(24(19-27)13-18-29)23-8-4-3-5-9-23/h6-7,10,22-24,29H,3-5,8-9,11-19H2,1-2H3/p+1/t24-/m0/s1