methyl 3-[3,5-dimethyl-1-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-[(1-propyl-4-piperidin-1-iumyl)amino]methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)CCC(=O)OC)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)CCC(=O)OC)C

InChI

InChI=1S/C24H34N4O3/c1-5-14-27-15-12-20(13-16-27)25-24(30)19-6-8-21(9-7-19)28-18(3)22(17(2)26-28)10-11-23(29)31-4/h6-9,20H,5,10-16H2,1-4H3,(H,25,30)/p+1