N-[2-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[(3-acetylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-(3-acetylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H30N4O2/c1-16(2)13-22(28)24-21-7-10-23-26(21)20-8-11-25(12-9-20)15-18-5-4-6-19(14-18)17(3)27/h4-7,10,14,16,20H,8-9,11-13,15H2,1-3H3,(H,24,28)/p+1