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

Systemtic Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3,5-dimethoxybenzyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](C(C2)CCO)CCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CCCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H34N2O3/c1-28-23-15-21(16-24(17-23)29-2)18-25-12-13-26(22(19-25)10-14-27)11-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-17,22,27H,6,9-14,18-19H2,1-2H3/p+1/t22-/m0/s1