5-[(2S)-1-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]-N-cyclobutyl-thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]-N-cyclobutyl-thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]-N-cyclobutyl-thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-2-pyrrolidin-1-iumyl]-N-cyclobutyl-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(4-chloro-1-methylpyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]-N-cyclobutylthiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]-N-cyclobutyl-thiophene-2-carboxamide Formula: C18H24ClN4OS+ MolecularWeight: 379.92736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C[NH+]2CCCC2C3=CC=C(S3)C(=O)NC4CCC4)Cl

Isomeric SMILES

CN1C=C(C(=N1)C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)NC4CCC4)Cl

InChI

InChI=1S/C18H23ClN4OS/c1-22-10-13(19)14(21-22)11-23-9-3-6-15(23)16-7-8-17(25-16)18(24)20-12-4-2-5-12/h7-8,10,12,15H,2-6,9,11H2,1H3,(H,20,24)/p+1/t15-/m0/s1