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

Systemtic Name: 2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-o-veratryl-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(=C1OC)CN2CC[NH+](C(C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CC[NH+]([C@H](C2)CCO)CCCC3=CC=CC=C3

InChI

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