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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[[(4-methyl-1-piperazin-4-iumyl)amino]-oxomethyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NN3CC[NH+](CC3)C)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NN3CC[NH+](CC3)C)C)CCC(=O)OC

InChI

InChI=1S/C21H29N5O3/c1-15-19(9-10-20(27)29-4)16(2)26(22-15)18-7-5-17(6-8-18)21(28)23-25-13-11-24(3)12-14-25/h5-8H,9-14H2,1-4H3,(H,23,28)/p+1