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

Systemtic Name: methyl 4-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4/c1-3-20-8-10-21(11-9-20)15-14(19)16(23)22(17(15)24)13-6-4-12(5-7-13)18(25)26-2/h4-7H,3,8-11H2,1-2H3/p+1