N-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]thiophene-2-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]thiophene-2-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenyl-3-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenylpyrazol-3-yl]thiophene-2-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]thiophene-2-carboxamide Formula: C20H22N5O2S+ MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N5O2S/c1-23-9-11-24(12-10-23)20(27)16-14-21-25(15-6-3-2-4-7-15)18(16)22-19(26)17-8-5-13-28-17/h2-8,13-14H,9-12H2,1H3,(H,22,26)/p+1