N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C[N+](=CC=C2)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=C[N+](=CC=C2)[O-])N3CCCCC3

InChI

InChI=1S/C20H25N3O3/c1-26-18-9-7-16(8-10-18)19(22-11-3-2-4-12-22)14-21-20(24)17-6-5-13-23(25)15-17/h5-10,13,15,19H,2-4,11-12,14H2,1H3,(H,21,24)