ethyl 4-[[(4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-6-oxidanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-6-oxidanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-6-oxo-hexahydropyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[(4R)-2-(4-ethyl-1-piperazin-1-iumylidene)-6-oxo-1,3-diazinan-4-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-6-oxo-1,3-diazinane-4-carbonyl]amino]benzoate Traditional Name: 4-[[(4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-6-keto-hexahydropyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C20H28N5O4+ MolecularWeight: 402.46742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](=C2NC(CC(=O)N2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC1

Isomeric SMILES

CCN1CC[N+](=C2N[C@H](CC(=O)N2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC1

InChI

InChI=1S/C20H27N5O4/c1-3-24-9-11-25(12-10-24)20-22-16(13-17(26)23-20)18(27)21-15-7-5-14(6-8-15)19(28)29-4-2/h5-8,16H,3-4,9-13H2,1-2H3,(H2,21,22,23,26,27,28)/p+1/t16-/m1/s1