methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(propanoylamino)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(propanoylamino)benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(propanoylamino)benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-(1-oxopropylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(propanoylamino)benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-propionamido-benzoic acid methyl ester Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-4-15(20)17-13-11-12(16(21)22-3)5-6-14(13)19-9-7-18(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3,(H,17,20)/p+1