ethyl 3-[2-(4-ethylphenoxy)ethanoylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 3-[2-(4-ethylphenoxy)ethanoylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C30H36N3O4+ MolecularWeight: 502.62454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O4/c1-3-23-10-13-26(14-11-23)37-22-29(34)31-27-20-25(30(35)36-4-2)12-15-28(27)33-18-16-32(17-19-33)21-24-8-6-5-7-9-24/h5-15,20H,3-4,16-19,21-22H2,1-2H3,(H,31,34)/p+1