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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3)OC)OC

InChI

InChI=1S/C21H34N2O4/c1-25-19-9-8-16(20(26-2)21(19)27-3)14-22-11-12-23(17-6-4-5-7-17)18(15-22)10-13-24/h8-9,17-18,24H,4-7,10-15H2,1-3H3/p+1/t18-/m0/s1