1-[2,4,6-trimethyl-3-[(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)methyl]phenyl]ethanone

Systemtic Name: 1-[2,4,6-trimethyl-3-[(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)methyl]phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)C[NH+]2CCC(CC2)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)C[NH+]2CCC(CC2)C(=O)N3CCCC3)C

InChI

InChI=1S/C22H32N2O2/c1-15-13-16(2)21(18(4)25)17(3)20(15)14-23-11-7-19(8-12-23)22(26)24-9-5-6-10-24/h13,19H,5-12,14H2,1-4H3/p+1