N-[3-[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[2-[(3,5-dimethyl-1-piperidyl)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[2-[(3,5-dimethyl-1-piperidinyl)methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[2-[(3,5-dimethylpiperidino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=CC=CC=C2OCCCNC(=O)C3=C[N+](=CC=C3)[O-])C

Isomeric SMILES

CC1CC(CN(C1)CC2=CC=CC=C2OCCCNC(=O)C3=C[N+](=CC=C3)[O-])C

InChI

InChI=1S/C23H31N3O3/c1-18-13-19(2)15-25(14-18)16-20-7-3-4-9-22(20)29-12-6-10-24-23(27)21-8-5-11-26(28)17-21/h3-5,7-9,11,17-19H,6,10,12-16H2,1-2H3,(H,24,27)