4-azanyl-1-(4-methoxyphenyl)-5,5-dimethyl-3-pyridin-1-ium-1-yl-pyrrol-2-one chloride

Systemtic Name: 4-azanyl-1-(4-methoxyphenyl)-5,5-dimethyl-3-pyridin-1-ium-1-yl-pyrrol-2-one chloride Openeye Name: 4-amino-1-(4-methoxyphenyl)-5,5-dimethyl-3-pyridin-1-ium-1-yl-pyrrol-2-one chloride CAS Name: 4-amino-1-(4-methoxyphenyl)-5,5-dimethyl-3-(1-pyridin-1-iumyl)-2-pyrrolone chloride IUPAC Name: 4-amino-1-(4-methoxyphenyl)-5,5-dimethyl-3-pyridin-1-ium-1-ylpyrrol-2-one chloride Traditional Name: 4-amino-1-(4-methoxyphenyl)-5,5-dimethyl-3-pyridin-1-ium-1-yl-3-pyrrolin-2-one chloride Formula: C18H20ClN3O2 MolecularWeight: 345.8233

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)N1C2=CC=C(C=C2)OC)[N+]3=CC=CC=C3)N)C.[Cl-]

Isomeric SMILES

CC1(C(=C(C(=O)N1C2=CC=C(C=C2)OC)[N+]3=CC=CC=C3)N)C.[Cl-]

InChI

InChI=1S/C18H19N3O2.ClH/c1-18(2)16(19)15(20-11-5-4-6-12-20)17(22)21(18)13-7-9-14(23-3)10-8-13;/h4-12H,1-3H3,(H-,19,22);1H