N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-4-yl]ethyl]-2-pyrazol-1-yl-ethanamide

Systemtic Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-4-yl]ethyl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-methyl-N-[(1R)-2-(o-tolyl)-1-[1-(1-oxidopyridin-1-ium-4-carbonyl)-4-piperidyl]ethyl]-2-pyrazol-1-yl-acetamide CAS Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-4-piperidinyl]ethyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide Traditional Name: N-methyl-N-[(1R)-2-(o-tolyl)-1-[1-(1-oxidopyridin-1-ium-4-carbonyl)-4-piperidyl]ethyl]-2-pyrazol-1-yl-acetamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C2CCN(CC2)C(=O)C3=CC=[N+](C=C3)[O-])N(C)C(=O)CN4C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C[C@H](C2CCN(CC2)C(=O)C3=CC=[N+](C=C3)[O-])N(C)C(=O)CN4C=CC=N4

InChI

InChI=1S/C26H31N5O3/c1-20-6-3-4-7-23(20)18-24(28(2)25(32)19-30-13-5-12-27-30)21-8-14-29(15-9-21)26(33)22-10-16-31(34)17-11-22/h3-7,10-13,16-17,21,24H,8-9,14-15,18-19H2,1-2H3/t24-/m1/s1