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

Systemtic Name: N-[2-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-[1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propionamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C)(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C)(C)C)OC

InChI

InChI=1S/C22H32N4O2/c1-16-14-17(6-7-19(16)28-5)15-25-12-9-18(10-13-25)26-20(8-11-23-26)24-21(27)22(2,3)4/h6-8,11,14,18H,9-10,12-13,15H2,1-5H3,(H,24,27)/p+1