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

Systemtic Name: N-[2-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-[(3-acetylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-(3-acetylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C25H28N4O3/c1-18(30)20-7-5-6-19(16-20)17-28-14-11-21(12-15-28)29-24(10-13-26-29)27-25(31)22-8-3-4-9-23(22)32-2/h3-10,13,16,21H,11-12,14-15,17H2,1-2H3,(H,27,31)/p+1