methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (4-keto-7-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=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](C)CC3=CC=CS3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](C)CC3=CC=CS3

InChI

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