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

Systemtic Name: 2-[(2S)-4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[1-(3-methoxyphenyl)-4-piperidyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[1-(3-methoxyphenyl)-4-piperidinyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[1-(3-methoxyphenyl)-4-piperidyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCC(CC2)[NH+]3CCN(C(C3)CCO)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCC(CC2)[NH+]3CCN([C@H](C3)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C26H37N3O2/c1-31-26-9-5-8-24(20-26)27-15-11-23(12-16-27)29-18-17-28(25(21-29)13-19-30)14-10-22-6-3-2-4-7-22/h2-9,20,23,25,30H,10-19,21H2,1H3/p+1/t25-/m0/s1