2-methyl-5-(1-methylpyrrol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-5-(1-methylpyrrol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-methyl-5-(1-methylpyrrol-2-yl)pyrazole-3-carboxamide CAS Name: 2-methyl-5-(1-methyl-2-pyrrolyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-methyl-5-(1-methylpyrrol-2-yl)pyrazole-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-methyl-5-(1-methylpyrrol-2-yl)pyrazole-3-carboxamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H27N5O/c1-25-12-6-9-20(25)19-15-21(26(2)24-19)22(28)23-18-10-13-27(14-11-18)16-17-7-4-3-5-8-17/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,23,28)/p+1