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

Systemtic Name: 4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]piperazin-4-ium-1-carbaldehyde Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)C=O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)C=O

InChI

InChI=1S/C16H19N3O2/c1-12-16(13-4-2-3-5-14(13)17-12)15(21)10-18-6-8-19(11-20)9-7-18/h2-5,11,17H,6-10H2,1H3/p+1