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

Systemtic Name: N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(2,4,5-trimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(2,4,5-trimethylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O/c1-18-15-20(3)22(16-19(18)2)17-28-13-10-23(11-14-28)29-24(9-12-26-29)27-25(30)21-7-5-4-6-8-21/h4-9,12,15-16,23H,10-11,13-14,17H2,1-3H3,(H,27,30)/p+1