2-[(2S)-4-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-cyclopentyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-chloro-4,5-dimethoxy-benzyl)-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Formula: C20H32ClN2O3+ MolecularWeight: 383.93268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31ClN2O3/c1-25-19-11-15(18(21)12-20(19)26-2)13-22-8-9-23(16-5-3-4-6-16)17(14-22)7-10-24/h11-12,16-17,24H,3-10,13-14H2,1-2H3/p+1/t17-/m0/s1