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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium Formula: C18H20ClN3OS+2 MolecularWeight: 361.8889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-3-8-21(12-15-5-6-16(19)24-15)11-14-9-18(23)22-10-13(2)4-7-17(22)20-14/h3-7,9-10H,1,8,11-12H2,2H3/p+2