N-methyl-6-[(3S)-3-oxidanylpiperidin-1-yl]-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-methyl-6-[(3S)-3-oxidanylpiperidin-1-yl]-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-3-hydroxy-1-piperidyl]-N-methyl-N-(2-quinolylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-hydroxy-1-piperidinyl]-N-methyl-N-(2-quinolinylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-3-hydroxypiperidino]-N-methyl-N-(2-quinolylmethyl)pyridin-1-ium-3-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=C[NH+]=C(C=C3)N4CCCC(C4)O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=C[NH+]=C(C=C3)N4CCC[C@@H](C4)O

InChI

InChI=1S/C22H24N4O2/c1-25(14-18-10-8-16-5-2-3-7-20(16)24-18)22(28)17-9-11-21(23-13-17)26-12-4-6-19(27)15-26/h2-3,5,7-11,13,19,27H,4,6,12,14-15H2,1H3/p+1/t19-/m0/s1