methyl 3-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[(5-bromo-2-methoxy-benzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-methoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(5-bromo-2-methoxy-benzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C22H27BrN3O4+ MolecularWeight: 477.37148

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H26BrN3O4/c1-4-25-9-11-26(12-10-25)19-7-5-15(22(28)30-3)13-18(19)24-21(27)17-14-16(23)6-8-20(17)29-2/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,27)/p+1