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

Systemtic Name: 2-chloranyl-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C20H26ClN4O+ MolecularWeight: 373.89964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC(=CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H25ClN4O/c1-15(2)8-12-24-13-9-16(10-14-24)25-19(7-11-22-25)23-20(26)17-5-3-4-6-18(17)21/h3-8,11,16H,9-10,12-14H2,1-2H3,(H,23,26)/p+1