N-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-[(4-methyl-1-piperidyl)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[3-[(4-methyl-1-piperidinyl)methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-[(4-methylpiperidino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H29N3O3/c1-18-8-12-24(13-9-18)16-19-5-2-7-21(15-19)28-14-4-10-23-22(26)20-6-3-11-25(27)17-20/h2-3,5-7,11,15,17-18H,4,8-10,12-14,16H2,1H3,(H,23,26)