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

Systemtic Name: 2-chloranyl-N-[2-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-(p-tolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(4-methylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN4O/c1-17-6-8-18(9-7-17)16-27-14-11-19(12-15-27)28-22(10-13-25-28)26-23(29)20-4-2-3-5-21(20)24/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,29)/p+1