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methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-3-ylmethyl)azanium

methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name:methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-3-ylmethyl)azanium
Openeye Name:methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(3-thienylmethyl)ammonium
CAS Name:methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(3-thiophenylmethyl)ammonium
IUPAC Name:methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(thiophen-3-ylmethyl)azanium
Traditional Name:(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-(3-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=CSC=C3


Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](C)CC3=CSC=C3


InChI

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


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