2-[(2S)-1-cyclopentyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(3-ethoxy-4-methoxy-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3)OC

InChI

InChI=1S/C21H34N2O3/c1-3-26-21-14-17(8-9-20(21)25-2)15-22-11-12-23(18-6-4-5-7-18)19(16-22)10-13-24/h8-9,14,18-19,24H,3-7,10-13,15-16H2,1-2H3/p+1/t19-/m0/s1