dimethyl-[1-[methyl(2-methylprop-2-enoyl)amino]propyl]-(1-phenylheptadecyl)azanium

Systemtic Name: dimethyl-[1-[methyl(2-methylprop-2-enoyl)amino]propyl]-(1-phenylheptadecyl)azanium Openeye Name: dimethyl-[1-[methyl(2-methylprop-2-enoyl)amino]propyl]-(1-phenylheptadecyl)ammonium CAS Name: dimethyl-[1-[methyl-(2-methyl-1-oxoprop-2-enyl)amino]propyl]-(1-phenylheptadecyl)ammonium IUPAC Name: dimethyl-[1-[methyl(2-methylprop-2-enoyl)amino]propyl]-(1-phenylheptadecyl)azanium Traditional Name: 1-[methacryloyl(methyl)amino]propyl-dimethyl-(1-phenylheptadecyl)ammonium Formula: C33H59N2O+ MolecularWeight: 499.83436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)C(CC)N(C)C(=O)C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)C(CC)N(C)C(=O)C(=C)C

InChI

InChI=1S/C33H59N2O/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(30-26-23-22-24-27-30)35(6,7)32(9-2)34(5)33(36)29(3)4/h22-24,26-27,31-32H,3,8-21,25,28H2,1-2,4-7H3/q+1