N-[2-[1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(4-hydroxy-3,5-dimethyl-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-20-17-23(18-21(2)27(20)33)19-30-15-12-24(13-16-30)31-25(11-14-28-31)29-26(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11,14,17-18,24,33H,6,9-10,12-13,15-16,19H2,1-2H3,(H,29,32)/p+1