2-chloranyl-N-[2-(1-pentan-3-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(1-pentan-3-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-(1-ethylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-(1-pentan-3-yl-4-piperidin-1-iumyl)-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-(1-pentan-3-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(1-ethylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O/c1-3-15(4-2)24-13-10-16(11-14-24)25-19(9-12-22-25)23-20(26)17-7-5-6-8-18(17)21/h5-9,12,15-16H,3-4,10-11,13-14H2,1-2H3,(H,23,26)/p+1