N-[1-[[4-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]methanesulfonamide

Systemtic Name: N-[1-[[4-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]methanesulfonamide Openeye Name: N-[1-[[4-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]methanesulfonamide CAS Name: N-[1-[[4-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-4-piperidin-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[[4-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]methanesulfonamide Traditional Name: N-[1-[4-(6-ethyl-4-keto-1H-pyrimidin-2-yl)benzyl]piperidin-1-ium-4-yl]methanesulfonamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)NS(=O)(=O)C

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)NS(=O)(=O)C

InChI

InChI=1S/C19H26N4O3S/c1-3-16-12-18(24)21-19(20-16)15-6-4-14(5-7-15)13-23-10-8-17(9-11-23)22-27(2,25)26/h4-7,12,17,22H,3,8-11,13H2,1-2H3,(H,20,21,24)/p+1