1-(2,3-dimethylphenyl)-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium Formula: C23H33N2O+ MolecularWeight: 353.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H32N2O/c1-18-6-5-7-23(20(18)3)25-16-14-24(15-17-25)19(2)8-9-21-10-12-22(26-4)13-11-21/h5-7,10-13,19H,8-9,14-17H2,1-4H3/p+1/t19-/m1/s1