N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(5-methyl-2-thienyl)-1H-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-5-(5-methyl-2-thiophenyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(5-methyl-2-thienyl)-1H-pyrazole-3-carboxamide Formula: C20H31N5OS+2 MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NN2)C(=O)NC3CCC[NH+](C3)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N[C@H]3CCC[NH+](C3)C4CC[NH+](CC4)C

InChI

InChI=1S/C20H29N5OS/c1-14-5-6-19(27-14)17-12-18(23-22-17)20(26)21-15-4-3-9-25(13-15)16-7-10-24(2)11-8-16/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,21,26)(H,22,23)/p+2/t15-/m0/s1