2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C23H40N3O3+ MolecularWeight: 406.582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCN(C(C2)CCO)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H39N3O3/c1-4-8-24-9-5-20(6-10-24)26-12-11-25(21(18-26)7-13-27)17-19-14-22(28-2)16-23(15-19)29-3/h14-16,20-21,27H,4-13,17-18H2,1-3H3/p+1/t21-/m0/s1