2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridine-3-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-16-12-19(25-28-16)15-29-22-20(8-5-10-23-22)21(27)24-18-9-11-26(14-18)13-17-6-3-2-4-7-17/h2-8,10,12,18H,9,11,13-15H2,1H3,(H,24,27)/p+1/t18-/m0/s1