N,N-diethyl-4-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-sulfonamide Formula: C18H29N5O3S+2 MolecularWeight: 395.51956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)[N+]3=CC=CC(=C3N2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)[N+]3=CC=CC(=C3N2)C

InChI

InChI=1S/C18H27N5O3S/c1-4-21(5-2)27(25,26)22-11-9-20(10-12-22)14-16-13-17(24)23-8-6-7-15(3)18(23)19-16/h6-8,13H,4-5,9-12,14H2,1-3H3/p+2