N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-carboxamide CAS Name: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-carboxamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)O

Isomeric SMILES

CC1=C(C(=NO1)C)CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C19H26N4O3/c1-13-17(14(2)26-22-13)6-3-9-20-19(25)15-7-8-18(21-11-15)23-10-4-5-16(24)12-23/h7-8,11,16,24H,3-6,9-10,12H2,1-2H3,(H,20,25)/p+1/t16-/m0/s1