2-[(2S)-4-[(2,4-dimethoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,4-dimethoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,4-dimethoxyphenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2,4-dimethoxyphenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,4-dimethoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,4-dimethoxybenzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C23H40N3O3+ MolecularWeight: 406.582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C23H39N3O3/c1-18(2)25-10-7-20(8-11-25)26-13-12-24(17-21(26)9-14-27)16-19-5-6-22(28-3)15-23(19)29-4/h5-6,15,18,20-21,27H,7-14,16-17H2,1-4H3/p+1/t21-/m0/s1