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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4C

InChI

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