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

Systemtic Name: 6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(2S)-2-methylolpyrrolidino]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCCC3CO

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC[C@H]3CO

InChI

InChI=1S/C18H24N4O3/c1-2-4-14-9-16(25-21-14)11-20-18(24)13-6-7-17(19-10-13)22-8-3-5-15(22)12-23/h6-7,9-10,15,23H,2-5,8,11-12H2,1H3,(H,20,24)/p+1/t15-/m0/s1