N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[1-[2-(6-methyl-2-pyridin-1-iumyl)ethyl]-4-piperidin-1-iumyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide Formula: C21H29N3O3S+2 MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)CC[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)CC[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3/p+2