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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2CCO)CCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CCCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H34N2O3/c1-28-23-15-21(16-24(17-23)29-2)18-26-13-12-25(19-22(26)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