4-chloranyl-N-(furan-2-ylmethyl)-N-[(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(furan-2-ylmethyl)-N-[(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]benzenesulfonamide Openeye Name: 4-chloro-N-(2-furylmethyl)-N-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]benzenesulfonamide CAS Name: 4-chloro-N-(2-furanylmethyl)-N-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(furan-2-ylmethyl)-N-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]benzenesulfonamide Traditional Name: 4-chloro-N-(2-furfuryl)-N-[(4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]benzenesulfonamide Formula: C21H19ClN3O4S+ MolecularWeight: 444.91126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O4S/c1-15-8-9-25-20(11-15)23-17(12-21(25)26)13-24(14-18-3-2-10-29-18)30(27,28)19-6-4-16(22)5-7-19/h2-12H,13-14H2,1H3/p+1