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

Systemtic Name: ethyl 3-[(3-butoxyphenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: ethyl 3-[(3-butoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(3-butoxyphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-butoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(3-butoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid ethyl ester Formula: C26H36N3O4+ MolecularWeight: 454.58174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC

InChI

InChI=1S/C26H35N3O4/c1-4-7-17-33-22-10-8-9-20(18-22)25(30)27-23-19-21(26(31)32-6-3)11-12-24(23)29-15-13-28(5-2)14-16-29/h8-12,18-19H,4-7,13-17H2,1-3H3,(H,27,30)/p+1