2-[(2S)-4-[(2-cyclopentyloxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-cyclopentyloxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[2-(cyclopentoxy)phenyl]methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-cyclopentyloxyphenyl)methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-cyclopentyloxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[2-(cyclopentoxy)benzyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C24H40N3O2+ MolecularWeight: 402.5933

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC=C3OC4CCCC4

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC=C3OC4CCCC4

InChI

InChI=1S/C24H39N3O2/c1-25-13-10-21(11-14-25)27-16-15-26(19-22(27)12-17-28)18-20-6-2-5-9-24(20)29-23-7-3-4-8-23/h2,5-6,9,21-23,28H,3-4,7-8,10-19H2,1H3/p+1/t22-/m0/s1