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

Systemtic Name: 1-(azocan-1-ium-1-ylmethyl)-5-propan-2-yl-indole-2,3-dione Openeye Name: 1-(azocan-1-ium-1-ylmethyl)-5-isopropyl-indoline-2,3-dione CAS Name: 1-(1-azocan-1-iumylmethyl)-5-propan-2-ylindole-2,3-dione IUPAC Name: 1-(azocan-1-ium-1-ylmethyl)-5-propan-2-ylindole-2,3-dione Traditional Name: 1-(azocan-1-ium-1-ylmethyl)-5-isopropyl-isatin Formula: C19H27N2O2+ MolecularWeight: 315.42988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2/c1-14(2)15-8-9-17-16(12-15)18(22)19(23)21(17)13-20-10-6-4-3-5-7-11-20/h8-9,12,14H,3-7,10-11,13H2,1-2H3/p+1