1-[(1S)-1-(3,4-dimethylphenyl)-2-methyl-propyl]piperazin-4-ium

Systemtic Name: 1-[(1S)-1-(3,4-dimethylphenyl)-2-methyl-propyl]piperazin-4-ium Openeye Name: 1-[(1S)-1-(3,4-dimethylphenyl)-2-methyl-propyl]piperazin-4-ium CAS Name: 1-[(1S)-1-(3,4-dimethylphenyl)-2-methylpropyl]piperazin-4-ium IUPAC Name: 1-[(1S)-1-(3,4-dimethylphenyl)-2-methylpropyl]piperazin-4-ium Traditional Name: 1-[(1S)-1-(3,4-dimethylphenyl)-2-methyl-propyl]piperazin-4-ium Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C(C)C)N2CC[NH2+]CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C(C)C)N2CC[NH2+]CC2)C

InChI

InChI=1S/C16H26N2/c1-12(2)16(18-9-7-17-8-10-18)15-6-5-13(3)14(4)11-15/h5-6,11-12,16-17H,7-10H2,1-4H3/p+1/t16-/m0/s1