[(2R)-3,3-dimethyl-1-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2R)-3,3-dimethyl-1-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1R)-2,2-dimethyl-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]propyl]ammonium CAS Name: [(2R)-3,3-dimethyl-1-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butan-2-yl]ammonium IUPAC Name: [(2R)-3,3-dimethyl-1-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1R)-2,2-dimethyl-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]propyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(C(C)(C)C)[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)C[C@@H](C(C)(C)C)[NH3+]

InChI

InChI=1S/C17H29N3/c1-14-6-5-7-15(12-14)20-10-8-19(9-11-20)13-16(18)17(2,3)4/h5-7,12,16H,8-11,13,18H2,1-4H3/p+2/t16-/m0/s1