[(1S)-2-azaniumyl-1-(2,4-dimethylphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,4-dimethylphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,4-dimethylphenyl)ethyl]-methyl-(1-methyl-4-piperidyl)ammonium CAS Name: [(1S)-2-ammonio-1-(2,4-dimethylphenyl)ethyl]-methyl-(1-methyl-4-piperidinyl)ammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,4-dimethylphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium Traditional Name: [(1S)-2-ammonio-1-(2,4-dimethylphenyl)ethyl]-methyl-(1-methyl-4-piperidyl)ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C[NH3+])[NH+](C)C2CCN(CC2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@@H](C[NH3+])[NH+](C)C2CCN(CC2)C)C

InChI

InChI=1S/C17H29N3/c1-13-5-6-16(14(2)11-13)17(12-18)20(4)15-7-9-19(3)10-8-15/h5-6,11,15,17H,7-10,12,18H2,1-4H3/p+2/t17-/m1/s1