2-[(2S)-1-methyl-4-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[1-[3-(o-tolyl)phenyl]-4-piperidyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[1-[3-(2-methylphenyl)phenyl]-4-piperidinyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[1-[3-(o-tolyl)phenyl]-4-piperidyl]piperazin-4-ium-2-yl]ethanol Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCN(C(C4)CCO)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCN([C@H](C4)CCO)C

InChI

InChI=1S/C25H35N3O/c1-20-6-3-4-9-25(20)21-7-5-8-23(18-21)27-13-10-22(11-14-27)28-16-15-26(2)24(19-28)12-17-29/h3-9,18,22,24,29H,10-17,19H2,1-2H3/p+1/t24-/m0/s1