methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(naphthalen-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(naphthalen-2-ylcarbonylamino)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(naphthalene-2-carbonylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[2-naphthalenyl(oxo)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(naphthalene-2-carbonylamino)benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-naphthoylamino)benzoic acid methyl ester Formula: C25H28N3O3+ MolecularWeight: 418.50812

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O3/c1-3-27-12-14-28(15-13-27)23-11-10-21(25(30)31-2)17-22(23)26-24(29)20-9-8-18-6-4-5-7-19(18)16-20/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)/p+1