4-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(5-bromo-2,3-dioxo-indolin-1-yl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(5-bromo-2,3-dioxo-1-indolyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(5-bromo-2,3-diketo-indolin-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Formula: C14H15BrN3O3+ MolecularWeight: 353.1912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C=O

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C=O

InChI

InChI=1S/C14H14BrN3O3/c15-10-1-2-12-11(7-10)13(20)14(21)18(12)8-16-3-5-17(9-19)6-4-16/h1-2,7,9H,3-6,8H2/p+1