2-(dipropylamino)-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]cyclobutane-1,3-dione

Systemtic Name: 2-(dipropylamino)-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]cyclobutane-1,3-dione Openeye Name: 2-(dipropylamino)-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylene]cyclobutane-1,3-dione CAS Name: 2-(dipropylamino)-4-[(1,3,3-trimethyl-2-indol-1-iumyl)methylidene]cyclobutane-1,3-dione IUPAC Name: 2-(dipropylamino)-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]cyclobutane-1,3-dione Traditional Name: 2-(dipropylamino)-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylene]cyclobutane-1,3-quinone Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1C(=O)C(=CC2=[N+](C3=CC=CC=C3C2(C)C)C)C1=O

Isomeric SMILES

CCCN(CCC)C1C(=O)C(=CC2=[N+](C3=CC=CC=C3C2(C)C)C)C1=O

InChI

InChI=1S/C22H29N2O2/c1-6-12-24(13-7-2)19-20(25)15(21(19)26)14-18-22(3,4)16-10-8-9-11-17(16)23(18)5/h8-11,14,19H,6-7,12-13H2,1-5H3/q+1