methyl 3-(2,2-dimethylpropanoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-(2,2-dimethylpropanoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-(2,2-dimethylpropanoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(pivaloylamino)benzoic acid methyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C(C)(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C(C)(C)C

InChI

InChI=1S/C19H29N3O3/c1-6-21-9-11-22(12-10-21)16-8-7-14(17(23)25-5)13-15(16)20-18(24)19(2,3)4/h7-8,13H,6,9-12H2,1-5H3,(H,20,24)/p+1