N-(2-dimethylaminoethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-[[1-[(2-fluorophenyl)methyl]-3-piperidyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-[[1-[(2-fluorophenyl)methyl]-3-piperidinyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-[[1-(2-fluorobenzyl)-3-piperidyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H31FN4O2 MolecularWeight: 414.516243

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CN(C)CCN(CC1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C23H31FN4O2/c1-25(2)13-14-27(23(29)21-9-6-12-28(30)18-21)16-19-7-5-11-26(15-19)17-20-8-3-4-10-22(20)24/h3-4,6,8-10,12,18-19H,5,7,11,13-17H2,1-2H3