6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-3-(hydroxymethyl)-1-piperidyl]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-(hydroxymethyl)-1-piperidinyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-3-methylolpiperidino]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)CO

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)CO

InChI

InChI=1S/C19H26N4O3/c1-2-4-16-9-17(26-22-16)11-21-19(25)15-6-7-18(20-10-15)23-8-3-5-14(12-23)13-24/h6-7,9-10,14,24H,2-5,8,11-13H2,1H3,(H,21,25)/p+1/t14-/m0/s1