4-chloranyl-3-methyl-N-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-3-methyl-N-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide Openeye Name: 4-chloro-3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)-1-piperidyl]methyl]benzamide CAS Name: 4-chloro-3-methyl-N-[[4-(1-oxido-2-pyridin-1-iumyl)-1-piperidinyl]methyl]benzamide IUPAC Name: 4-chloro-3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide Traditional Name: 4-chloro-3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidino]methyl]benzamide Formula: C19H22ClN3O2 MolecularWeight: 359.84988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCN2CCC(CC2)C3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCN2CCC(CC2)C3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C19H22ClN3O2/c1-14-12-16(5-6-17(14)20)19(24)21-13-22-10-7-15(8-11-22)18-4-2-3-9-23(18)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)