[8-bromanyl-1-ethoxycarbonyl-3-methyl-4,5-bis(oxidanylidene)benzo[e]indol-2-yl]methyl-diethyl-azanium

Systemtic Name: [8-bromanyl-1-ethoxycarbonyl-3-methyl-4,5-bis(oxidanylidene)benzo[e]indol-2-yl]methyl-diethyl-azanium Openeye Name: (8-bromo-1-ethoxycarbonyl-3-methyl-4,5-dioxo-benzo[e]indol-2-yl)methyl-diethyl-ammonium CAS Name: (8-bromo-1-ethoxycarbonyl-3-methyl-4,5-dioxo-2-benzo[e]indolyl)methyl-diethylammonium IUPAC Name: (8-bromo-1-ethoxycarbonyl-3-methyl-4,5-dioxobenzo[e]indol-2-yl)methyl-diethylazanium Traditional Name: (8-bromo-1-carbethoxy-4,5-diketo-3-methyl-benz[e]indol-2-yl)methyl-diethyl-ammonium Formula: C21H24BrN2O4+ MolecularWeight: 448.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=C(N1C)C(=O)C(=O)C3=C2C=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=C(N1C)C(=O)C(=O)C3=C2C=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C21H23BrN2O4/c1-5-24(6-2)11-15-17(21(27)28-7-3)16-14-10-12(22)8-9-13(14)19(25)20(26)18(16)23(15)4/h8-10H,5-7,11H2,1-4H3/p+1