propan-2-yl 4-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: propan-2-yl 4-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)-2,5-dioxo-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-diketo-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C20H25ClN3O4+ MolecularWeight: 406.8832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4/c1-4-22-9-11-23(12-10-22)17-16(21)18(25)24(19(17)26)15-7-5-14(6-8-15)20(27)28-13(2)3/h5-8,13H,4,9-12H2,1-3H3/p+1