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

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-methylpropanoylamino)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-methylpropanoylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[(2-methyl-1-oxopropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-methylpropanoylamino)benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(isobutyrylamino)benzoic acid methyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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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

Isomeric SMILES

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

InChI

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