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

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propoxyphenyl)carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-4-16-31-20-9-6-18(7-10-20)23(28)25-21-17-19(24(29)30-3)8-11-22(21)27-14-12-26(5-2)13-15-27/h6-11,17H,4-5,12-16H2,1-3H3,(H,25,28)/p+1