[2,2-dimethyl-3-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azaniumyl]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azaniumyl]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonio]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]ammonio]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azaniumyl]propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonio]propyl]-dimethyl-ammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CC(C)(C)C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H27N3O2/c1-12-7-8-14(9-15(12)19(20)21)13(2)17-10-16(3,4)11-18(5)6/h7-9,13,17H,10-11H2,1-6H3/p+2/t13-/m0/s1