N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[(2S)-1-(3-methylsulfanylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[(2S)-1-(3-methylsulfanylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[(2S)-1-(3-methylsulfanylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[(2S)-1-[3-(methylthio)propyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[(2S)-1-(3-methylsulfanylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[(2S)-1-[3-(methylthio)propyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C19H29N4OS2+ MolecularWeight: 393.58976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)CN(C)C(=O)C2=CC=C(S2)C3CCC[NH+]3CCCSC

Isomeric SMILES

CC1=CC(=NN1)CN(C)C(=O)C2=CC=C(S2)[C@@H]3CCC[NH+]3CCCSC

InChI

InChI=1S/C19H28N4OS2/c1-14-12-15(21-20-14)13-22(2)19(24)18-8-7-17(26-18)16-6-4-9-23(16)10-5-11-25-3/h7-8,12,16H,4-6,9-11,13H2,1-3H3,(H,20,21)/p+1/t16-/m0/s1