1-(3-chlorophenyl)-4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]piperazin-4-ium Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-16(13-17-7-8-20(25-2)21(14-17)26-3)23-9-11-24(12-10-23)19-6-4-5-18(22)15-19/h4-8,14-16H,9-13H2,1-3H3/p+1/t16-/m0/s1