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

Systemtic Name: N-[2-[1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-[1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propionamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C)(C)C

InChI

InChI=1S/C22H32N4O3/c1-5-29-18-8-6-7-16(20(18)27)15-25-13-10-17(11-14-25)26-19(9-12-23-26)24-21(28)22(2,3)4/h6-9,12,17,27H,5,10-11,13-15H2,1-4H3,(H,24,28)/p+1