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

Systemtic Name: N-[2-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(3-acetylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(3-acetylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C27H33N4O2+ MolecularWeight: 445.57652

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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)CCCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-21(32)24-11-5-10-23(19-24)20-30-17-14-25(15-18-30)31-26(13-16-28-31)29-27(33)12-6-9-22-7-3-2-4-8-22/h2-5,7-8,10-11,13,16,19,25H,6,9,12,14-15,17-18,20H2,1H3,(H,29,33)/p+1