ethyl 4-[(4-phenethylpiperazin-4-ium-1-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-phenethylpiperazin-4-ium-1-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]benzoate Traditional Name: 4-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]benzoic acid ethyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-2-28-21(26)19-8-10-20(11-9-19)23-22(27)25-16-14-24(15-17-25)13-12-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,27)/p+1