4-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[2-(2,3-dimethylindol-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[2-(2,3-dimethyl-1-indolyl)-2-oxoethyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[2-(2,3-dimethylindol-1-yl)-2-keto-ethyl]piperazin-4-ium-1-carbaldehyde Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C=O)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C=O)C

InChI

InChI=1S/C17H21N3O2/c1-13-14(2)20(16-6-4-3-5-15(13)16)17(22)11-18-7-9-19(12-21)10-8-18/h3-6,12H,7-11H2,1-2H3/p+1