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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium-2-yl]ethanol Formula: C21H35N2O4+ MolecularWeight: 379.5136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](C(C2)CCO)C3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3

InChI

InChI=1S/C21H34N2O4/c1-25-19-12-16(13-20(26-2)21(19)27-3)14-22-9-10-23(17-6-4-5-7-17)18(15-22)8-11-24/h12-13,17-18,24H,4-11,14-15H2,1-3H3/p+1/t18-/m0/s1