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

Systemtic Name: 2-[(2S)-4-[1-(2,3-dimethylphenyl)piperidin-4-yl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[1-(2,3-dimethylphenyl)-4-piperidyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[1-(2,3-dimethylphenyl)-4-piperidinyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[1-(2,3-dimethylphenyl)piperidin-4-yl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[1-(2,3-dimethylphenyl)-4-piperidyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C27H40N3O+ MolecularWeight: 422.626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCC(CC2)[NH+]3CCN(C(C3)CCO)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCC(CC2)[NH+]3CCN([C@H](C3)CCO)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H39N3O/c1-22-7-6-10-27(23(22)2)29-16-12-25(13-17-29)30-19-18-28(26(21-30)14-20-31)15-11-24-8-4-3-5-9-24/h3-10,25-26,31H,11-21H2,1-2H3/p+1/t26-/m0/s1