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

Systemtic Name: N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-(1-m-anisylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butyramide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-32-24-11-5-10-22(19-24)20-29-17-14-23(15-18-29)30-25(13-16-27-30)28-26(31)12-6-9-21-7-3-2-4-8-21/h2-5,7-8,10-11,13,16,19,23H,6,9,12,14-15,17-18,20H2,1H3,(H,28,31)/p+1