2-methyl-N-[4-(2-pyridin-1-ium-3-ylpiperidin-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 2-methyl-N-[4-(2-pyridin-1-ium-3-ylpiperidin-1-yl)sulfonylphenyl]propanamide Openeye Name: 2-methyl-N-[4-[(2-pyridin-1-ium-3-yl-1-piperidyl)sulfonyl]phenyl]propanamide CAS Name: 2-methyl-N-[4-[[2-(3-pyridin-1-iumyl)-1-piperidinyl]sulfonyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-(2-pyridin-1-ium-3-ylpiperidin-1-yl)sulfonylphenyl]propanamide Traditional Name: 2-methyl-N-[4-(2-pyridin-1-ium-3-ylpiperidino)sulfonylphenyl]propionamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=C[NH+]=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=C[NH+]=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-15(2)20(24)22-17-8-10-18(11-9-17)27(25,26)23-13-4-3-7-19(23)16-6-5-12-21-14-16/h5-6,8-12,14-15,19H,3-4,7,13H2,1-2H3,(H,22,24)/p+1