2-[(2S)-4-[(2-chloranyl-3,4-dimethoxy-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-chloranyl-3,4-dimethoxy-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-chloro-3,4-dimethoxy-phenyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-chloro-3,4-dimethoxy-benzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C18H30ClN2O3+ MolecularWeight: 357.8954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=C(C(=C(C=C2)OC)OC)Cl

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=C(C(=C(C=C2)OC)OC)Cl

InChI

InChI=1S/C18H29ClN2O3/c1-13(2)21-9-8-20(12-15(21)7-10-22)11-14-5-6-16(23-3)18(24-4)17(14)19/h5-6,13,15,22H,7-12H2,1-4H3/p+1/t15-/m0/s1