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

Systemtic Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C23H31N3O2/c1-3-25(23(27)22-9-6-13-26(28)18-22)17-20-10-14-24(15-11-20)16-12-21-8-5-4-7-19(21)2/h4-9,13,18,20H,3,10-12,14-17H2,1-2H3/p+1