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

Systemtic Name: [(1S)-2-azaniumyl-1-(2-methylphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium Openeye Name: [(1S)-2-azaniumyl-1-(o-tolyl)ethyl]-methyl-(1-methyl-4-piperidyl)ammonium CAS Name: [(1S)-2-ammonio-1-(2-methylphenyl)ethyl]-methyl-(1-methyl-4-piperidinyl)ammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2-methylphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium Traditional Name: [(1S)-2-ammonio-1-(o-tolyl)ethyl]-methyl-(1-methyl-4-piperidyl)ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C[NH3+])[NH+](C)C2CCN(CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-13-6-4-5-7-15(13)16(12-17)19(3)14-8-10-18(2)11-9-14/h4-7,14,16H,8-12,17H2,1-3H3/p+2/t16-/m1/s1