methyl-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-(2-thenyl)ammonium Formula: C16H19N3OS+2 MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)C[NH+](C)CC3=CC=CS3

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)C[NH+](C)CC3=CC=CS3

InChI

InChI=1S/C16H17N3OS/c1-12-5-3-7-19-15(20)9-13(17-16(12)19)10-18(2)11-14-6-4-8-21-14/h3-9H,10-11H2,1-2H3/p+2