N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1-oxidanidyl-N-phenethyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1-oxidanidyl-N-phenethyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[[(3R)-1-methyl-3-piperidyl]methyl]-1-oxido-N-phenethyl-pyridin-1-ium-4-carboxamide CAS Name: N-[[(3R)-1-methyl-3-piperidinyl]methyl]-1-oxido-N-phenethyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1-oxido-N-phenethylpyridin-1-ium-4-carboxamide Traditional Name: N-[[(3R)-1-methyl-3-piperidyl]methyl]-1-oxido-N-phenethyl-pyridin-1-ium-4-carboxamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN1CCC[C@H](C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C21H27N3O2/c1-22-12-5-8-19(16-22)17-23(13-9-18-6-3-2-4-7-18)21(25)20-10-14-24(26)15-11-20/h2-4,6-7,10-11,14-15,19H,5,8-9,12-13,16-17H2,1H3/t19-/m1/s1