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

Systemtic Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)CC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@@H](C)CC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C23H32N2O2/c1-17-7-6-8-21(19(17)3)25-13-11-24(12-14-25)18(2)15-20-9-10-22(26-4)23(16-20)27-5/h6-10,16,18H,11-15H2,1-5H3/p+1/t18-/m0/s1