N-[4-[1-(2-imidazo[1,2-a]pyridin-4-ium-1-ylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[1-(2-imidazo[1,2-a]pyridin-4-ium-1-ylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[1-(2-imidazo[1,2-a]pyridin-4-ium-1-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[1-[2-(1-imidazo[1,2-a]pyridin-4-iumyl)ethyl]-4-piperidinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-(2-imidazo[1,2-a]pyridin-4-ium-1-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-(2-imidazo[1,2-a]pyridin-4-ium-1-ylethyl)isonipecotoyl]phenyl]methanesulfonamide Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCN3C=C[N+]4=CC=CC=C34

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCN3C=C[N+]4=CC=CC=C34

InChI

InChI=1S/C22H26N4O3S/c1-30(28,29)23-20-7-5-18(6-8-20)22(27)19-9-12-24(13-10-19)14-15-26-17-16-25-11-3-2-4-21(25)26/h2-8,11,16-17,19H,9-10,12-15H2,1H3/p+1