N-methyl-5-(5-methylthiophen-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide

Systemtic Name: N-methyl-5-(5-methylthiophen-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Openeye Name: N-methyl-5-(5-methyl-2-thienyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide CAS Name: N-methyl-5-(5-methyl-2-thiophenyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1H-pyrazole-3-carboxamide IUPAC Name: N-methyl-5-(5-methylthiophen-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Traditional Name: N-methyl-5-(5-methyl-2-thienyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N(C)C3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N(C)[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-17-10-11-22(29-17)20-15-21(25-24-20)23(28)26(2)19-9-6-13-27(16-19)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,19H,6,9,12-14,16H2,1-2H3,(H,24,25)/p+1/t19-/m0/s1