1-methyl-1-(phenylmethyl)piperidin-1-ium-4-one nitrate

Systemtic Name: 1-methyl-1-(phenylmethyl)piperidin-1-ium-4-one nitrate Openeye Name: 1-benzyl-1-methyl-piperidin-1-ium-4-one nitrate CAS Name: 1-methyl-1-(phenylmethyl)-4-piperidin-1-iumone nitrate IUPAC Name: 1-benzyl-1-methylpiperidin-1-ium-4-one nitrate Traditional Name: 1-benzyl-1-methyl-piperidin-1-ium-4-one nitrate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO.NO3/c1-14(9-7-13(15)8-10-14)11-12-5-3-2-4-6-12;2-1(3)4/h2-6H,7-11H2,1H3;/q+1;-1