[(1S)-2-azaniumyl-1-(2,4,6-trimethylphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,4,6-trimethylphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,4,6-trimethylphenyl)ethyl]-methyl-(1-methyl-4-piperidyl)ammonium CAS Name: [(1S)-2-ammonio-1-(2,4,6-trimethylphenyl)ethyl]-methyl-(1-methyl-4-piperidinyl)ammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,4,6-trimethylphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium Traditional Name: [(1S)-2-ammonio-1-mesityl-ethyl]-methyl-(1-methyl-4-piperidyl)ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c1-13-10-14(2)18(15(3)11-13)17(12-19)21(5)16-6-8-20(4)9-7-16/h10-11,16-17H,6-9,12,19H2,1-5H3/p+2/t17-/m1/s1