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

Systemtic Name: 2-methyl-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methyl-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[2-[1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methyl-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC=C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC=C(C)C

InChI

InChI=1S/C21H28N4O/c1-16(2)9-13-24-14-10-18(11-15-24)25-20(8-12-22-25)23-21(26)19-7-5-4-6-17(19)3/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,23,26)/p+1