N-[(4S)-2,2-dimethyloxan-4-yl]-6-(3-methylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4S)-2,2-dimethyloxan-4-yl]-6-(3-methylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-carboxamide Openeye Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-2-(4-hydroxy-1-piperidyl)-6-(m-tolyl)pyridin-1-ium-3-carboxamide CAS Name: N-[(4S)-2,2-dimethyl-4-oxanyl]-2-(4-hydroxy-1-piperidinyl)-6-(3-methylphenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4S)-2,2-dimethyloxan-4-yl]-2-(4-hydroxypiperidin-1-yl)-6-(3-methylphenyl)pyridin-1-ium-3-carboxamide Traditional Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-2-(4-hydroxypiperidino)-6-(m-tolyl)pyridin-1-ium-3-carboxamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=[NH+]C(=C(C=C2)C(=O)NC3CCOC(C3)(C)C)N4CCC(CC4)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=[NH+]C(=C(C=C2)C(=O)N[C@H]3CCOC(C3)(C)C)N4CCC(CC4)O

InChI

InChI=1S/C25H33N3O3/c1-17-5-4-6-18(15-17)22-8-7-21(23(27-22)28-12-9-20(29)10-13-28)24(30)26-19-11-14-31-25(2,3)16-19/h4-8,15,19-20,29H,9-14,16H2,1-3H3,(H,26,30)/p+1/t19-/m0/s1