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

Systemtic Name: N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]-3-piperidinyl]methyl]-N-methyl-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-1-oxido-pyridin-1-ium-4-carboxamide Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C[C@H]1CCCN(C1)CCC2=CC=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C21H26ClN3O2/c1-23(21(26)19-9-13-25(27)14-10-19)15-18-3-2-11-24(16-18)12-8-17-4-6-20(22)7-5-17/h4-7,9-10,13-14,18H,2-3,8,11-12,15-16H2,1H3/t18-/m1/s1