2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide CAS Name: 2-methyl-N-[2-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CN(N=C4)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CN(N=C4)C(C)C

InChI

InChI=1S/C23H30N6O/c1-17(2)28-16-19(14-25-28)15-27-12-9-20(10-13-27)29-22(8-11-24-29)26-23(30)21-7-5-4-6-18(21)3/h4-8,11,14,16-17,20H,9-10,12-13,15H2,1-3H3,(H,26,30)/p+1