2,4-dimethyl-1-oxidanidyl-N-[3-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 2,4-dimethyl-1-oxidanidyl-N-[3-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide Openeye Name: 2,4-dimethyl-1-oxido-N-[3-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-1-piperidyl]butyl]pyridin-1-ium-3-carboxamide CAS Name: 2,4-dimethyl-1-oxido-N-[3-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]butyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2,4-dimethyl-1-oxido-N-[3-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide Traditional Name: 2,4-dimethyl-1-oxido-N-[3-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidino]butyl]pyridin-1-ium-3-carboxamide Formula: C31H36F3N3O3 MolecularWeight: 555.63105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1)[O-])C)C(=O)NCCC(C)N2CCC(CC2)C(C3=CC=C(C=C3)C(F)(F)F)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=[N+](C=C1)[O-])C)C(=O)NCCC(C)N2CCC(CC2)C(C3=CC=C(C=C3)C(F)(F)F)OC4=CC=CC=C4

InChI

InChI=1S/C31H36F3N3O3/c1-21-14-20-37(39)23(3)28(21)30(38)35-17-13-22(2)36-18-15-25(16-19-36)29(40-27-7-5-4-6-8-27)24-9-11-26(12-10-24)31(32,33)34/h4-12,14,20,22,25,29H,13,15-19H2,1-3H3,(H,35,38)