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

Systemtic Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(4-methylphenyl)ethyl]azanium Openeye Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(p-tolyl)ethyl]ammonium CAS Name: [(2S)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-2-(4-methylphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(4-methylphenyl)ethyl]azanium Traditional Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(p-tolyl)ethyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH3+])N(C)C2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[NH3+])N(C)C2CC[NH+](CC2)C

InChI

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