1-methyl-1-[[4-[(1-methyl-4-oxidanylidene-piperidin-1-ium-1-yl)methyl]phenyl]methyl]piperidin-1-ium-4-one chloride

Systemtic Name: 1-methyl-1-[[4-[(1-methyl-4-oxidanylidene-piperidin-1-ium-1-yl)methyl]phenyl]methyl]piperidin-1-ium-4-one chloride Openeye Name: 1-methyl-1-[[4-[(1-methyl-4-oxo-piperidin-1-ium-1-yl)methyl]phenyl]methyl]piperidin-1-ium-4-one chloride CAS Name: 1-methyl-1-[[4-[(1-methyl-4-oxo-1-piperidin-1-iumyl)methyl]phenyl]methyl]-4-piperidin-1-iumone chloride IUPAC Name: 1-methyl-1-[[4-[(1-methyl-4-oxopiperidin-1-ium-1-yl)methyl]phenyl]methyl]piperidin-1-ium-4-one chloride Traditional Name: 1-[4-[(4-keto-1-methyl-piperidin-1-ium-1-yl)methyl]benzyl]-1-methyl-piperidin-1-ium-4-one chloride Formula: C20H30ClN2O2+ MolecularWeight: 365.9174

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=O)CC1)CC2=CC=C(C=C2)C[N+]3(CCC(=O)CC3)C.[Cl-]

Isomeric SMILES

C[N+]1(CCC(=O)CC1)CC2=CC=C(C=C2)C[N+]3(CCC(=O)CC3)C.[Cl-]

InChI

InChI=1S/C20H30N2O2.ClH/c1-21(11-7-19(23)8-12-21)15-17-3-5-18(6-4-17)16-22(2)13-9-20(24)10-14-22;/h3-6H,7-16H2,1-2H3;1H/q+2;/p-1