2-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(1-methylpyrrol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(1-methylpyrrol-2-yl)pyrazole-3-carboxamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(1-methylpyrrol-2-yl)-2-(p-tolyl)pyrazole-3-carboxamide CAS Name: 2-(4-methylphenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-5-(1-methyl-2-pyrrolyl)-3-pyrazolecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(1-methylpyrrol-2-yl)pyrazole-3-carboxamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-(1-methylpyrrol-2-yl)-2-(p-tolyl)pyrazole-3-carboxamide Formula: C25H34N5O+ MolecularWeight: 420.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CN4C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CN4C

InChI

InChI=1S/C25H33N5O/c1-19-10-12-21(13-11-19)30-24(18-22(27-30)23-9-6-15-28(23)3)25(31)26-14-7-17-29-16-5-4-8-20(29)2/h6,9-13,15,18,20H,4-5,7-8,14,16-17H2,1-3H3,(H,26,31)/p+1/t20-/m0/s1