1-(2,5-dimethylphenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium Formula: C22H31N2+ MolecularWeight: 323.49494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2/c1-18-9-10-19(2)22(17-18)24-15-13-23(14-16-24)20(3)11-12-21-7-5-4-6-8-21/h4-10,17,20H,11-16H2,1-3H3/p+1/t20-/m1/s1