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

Systemtic Name: [8-bromanyl-1-ethoxycarbonyl-3-methyl-4,5-bis(oxidanylidene)benzo[e]indol-2-yl]methyl-propan-2-yl-azanium Openeye Name: (8-bromo-1-ethoxycarbonyl-3-methyl-4,5-dioxo-benzo[e]indol-2-yl)methyl-isopropyl-ammonium CAS Name: (8-bromo-1-ethoxycarbonyl-3-methyl-4,5-dioxo-2-benzo[e]indolyl)methyl-propan-2-ylammonium IUPAC Name: (8-bromo-1-ethoxycarbonyl-3-methyl-4,5-dioxobenzo[e]indol-2-yl)methyl-propan-2-ylazanium Traditional Name: (8-bromo-1-carbethoxy-4,5-diketo-3-methyl-benz[e]indol-2-yl)methyl-isopropyl-ammonium Formula: C20H22BrN2O4+ MolecularWeight: 434.30368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C3=C(C=CC(=C3)Br)C(=O)C2=O)C)C[NH2+]C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C3=C(C=CC(=C3)Br)C(=O)C2=O)C)C[NH2+]C(C)C

InChI

InChI=1S/C20H21BrN2O4/c1-5-27-20(26)16-14(9-22-10(2)3)23(4)17-15(16)13-8-11(21)6-7-12(13)18(24)19(17)25/h6-8,10,22H,5,9H2,1-4H3/p+1