1-[(2R)-5-(3,4-dimethylphenyl)-5-methyl-hexan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(2R)-5-(3,4-dimethylphenyl)-5-methyl-hexan-2-yl]piperazin-4-ium Openeye Name: 1-[(1R)-4-(3,4-dimethylphenyl)-1,4-dimethyl-pentyl]piperazin-4-ium CAS Name: 1-[(2R)-5-(3,4-dimethylphenyl)-5-methylhexan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2R)-5-(3,4-dimethylphenyl)-5-methylhexan-2-yl]piperazin-4-ium Traditional Name: 1-[(1R)-4-(3,4-dimethylphenyl)-1,4-dimethyl-pentyl]piperazin-4-ium Formula: C19H33N2+ MolecularWeight: 289.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2/c1-15-6-7-18(14-16(15)2)19(4,5)9-8-17(3)21-12-10-20-11-13-21/h6-7,14,17,20H,8-13H2,1-5H3/p+1/t17-/m1/s1