2-chloranyl-N-[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(2,5-dimethylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O/c1-17-7-8-18(2)19(15-17)16-28-13-10-20(11-14-28)29-23(9-12-26-29)27-24(30)21-5-3-4-6-22(21)25/h3-9,12,15,20H,10-11,13-14,16H2,1-2H3,(H,27,30)/p+1