5,6-dimethyl-3-[[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidin-1-ium-1-yl]methyl]-1H-pyridin-2-one

Systemtic Name: 5,6-dimethyl-3-[[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidin-1-ium-1-yl]methyl]-1H-pyridin-2-one Openeye Name: 5,6-dimethyl-3-[[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidin-1-ium-1-yl]methyl]-1H-pyridin-2-one CAS Name: 5,6-dimethyl-3-[[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-1-piperidin-1-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 5,6-dimethyl-3-[[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidin-1-ium-1-yl]methyl]-1H-pyridin-2-one Traditional Name: 5,6-dimethyl-3-[[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidin-1-ium-1-yl]methyl]-2-pyridone Formula: C18H28N4O+2 MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=C1)C[NH+]2CCCC(C2)C[N+]3=C(NC=C3)C)C

Isomeric SMILES

CC1=C(NC(=O)C(=C1)C[NH+]2CCC[C@@H](C2)C[N+]3=C(NC=C3)C)C

InChI

InChI=1S/C18H26N4O/c1-13-9-17(18(23)20-14(13)2)12-21-7-4-5-16(10-21)11-22-8-6-19-15(22)3/h6,8-9,16H,4-5,7,10-12H2,1-3H3,(H,20,23)/p+2/t16-/m0/s1