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

Systemtic Name: N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]-3-piperidyl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl]methyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]-3-piperidyl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCCN(C1)CCC2=CC(=CC=C2)OC)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCN(CC1CCCN(C1)CCC2=CC(=CC=C2)OC)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C23H31N3O3/c1-3-25(23(27)21-10-14-26(28)15-11-21)18-20-7-5-12-24(17-20)13-9-19-6-4-8-22(16-19)29-2/h4,6,8,10-11,14-16,20H,3,5,7,9,12-13,17-18H2,1-2H3