ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propoxyphenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propoxyphenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propoxybenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[oxo-(4-propoxyphenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propoxybenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propoxybenzoyl)amino]benzoic acid ethyl ester Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC

InChI

InChI=1S/C25H33N3O4/c1-4-17-32-21-10-7-19(8-11-21)24(29)26-22-18-20(25(30)31-6-3)9-12-23(22)28-15-13-27(5-2)14-16-28/h7-12,18H,4-6,13-17H2,1-3H3,(H,26,29)/p+1