(1-oxidanidylpyridin-1-ium-4-yl)-[3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-4-yl)-[3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone Openeye Name: [3-(4-isopropylanilino)-1-piperidyl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: (1-oxido-4-pyridin-1-iumyl)-[3-(4-propan-2-ylanilino)-1-piperidinyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-4-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone Traditional Name: (3-cumidinopiperidino)-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C20H25N3O2/c1-15(2)16-5-7-18(8-6-16)21-19-4-3-11-22(14-19)20(24)17-9-12-23(25)13-10-17/h5-10,12-13,15,19,21H,3-4,11,14H2,1-2H3