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

Systemtic Name: 4-[[2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(2,3-dioxoindolin-1-yl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(2,3-dioxo-1-indolyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2,3-dioxoindol-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(2,3-diketoindolin-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Formula: C14H16N3O3+ MolecularWeight: 274.29514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C=O

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C=O

InChI

InChI=1S/C14H15N3O3/c18-10-16-7-5-15(6-8-16)9-17-12-4-2-1-3-11(12)13(19)14(17)20/h1-4,10H,5-9H2/p+1