methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(pentanoylamino)benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(pentanoylamino)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(pentanoylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(pentanoylamino)benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(valerylamino)benzoic acid methyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-4-6-7-18(23)20-16-14-15(19(24)25-3)8-9-17(16)22-12-10-21(5-2)11-13-22/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,23)/p+1