1-(azocan-1-ium-1-ylmethyl)-5-methyl-indole-2,3-dione

Systemtic Name: 1-(azocan-1-ium-1-ylmethyl)-5-methyl-indole-2,3-dione Openeye Name: 1-(azocan-1-ium-1-ylmethyl)-5-methyl-indoline-2,3-dione CAS Name: 1-(1-azocan-1-iumylmethyl)-5-methylindole-2,3-dione IUPAC Name: 1-(azocan-1-ium-1-ylmethyl)-5-methylindole-2,3-dione Traditional Name: 1-(azocan-1-ium-1-ylmethyl)-5-methyl-isatin Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C17H22N2O2/c1-13-7-8-15-14(11-13)16(20)17(21)19(15)12-18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10,12H2,1H3/p+1