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

Systemtic Name: methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(pivaloylamino)benzoic acid methyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CC[NH+](CC2)C

InChI

InChI=1S/C18H27N3O3/c1-18(2,3)17(23)19-14-12-13(16(22)24-5)6-7-15(14)21-10-8-20(4)9-11-21/h6-7,12H,8-11H2,1-5H3,(H,19,23)/p+1