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

Systemtic Name: [(1S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-1-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]ammonium CAS Name: [(1S)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-1-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(1S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-1-p-cumenyl-ethyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c1-14(2)15-5-7-16(8-6-15)18(19)13-21(4)17-9-11-20(3)12-10-17/h5-8,14,17-18H,9-13,19H2,1-4H3/p+2/t18-/m1/s1