N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2S)-1-propan-2-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2S)-1-propan-2-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2S)-1-isopropylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-5-[(2S)-1-propan-2-yl-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2S)-1-propan-2-ylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2S)-1-isopropylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C2=CC=C(S2)C3CCC[NH+]3C(C)C)C

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C2=CC=C(S2)[C@@H]3CCC[NH+]3C(C)C)C

InChI

InChI=1S/C19H28N4OS/c1-13(2)22-10-5-6-16(22)17-7-8-18(25-17)19(24)20-9-11-23-15(4)12-14(3)21-23/h7-8,12-13,16H,5-6,9-11H2,1-4H3,(H,20,24)/p+1/t16-/m0/s1