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

Systemtic Name: 2-piperidin-1-yl-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]cyclobutane-1,3-dione Openeye Name: 2-(1-piperidyl)-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylene]cyclobutane-1,3-dione CAS Name: 2-(1-piperidinyl)-4-[(1,3,3-trimethyl-2-indol-1-iumyl)methylidene]cyclobutane-1,3-dione IUPAC Name: 2-piperidin-1-yl-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]cyclobutane-1,3-dione Traditional Name: 2-piperidino-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylene]cyclobutane-1,3-quinone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=C3C(=O)C(C3=O)N4CCCCC4)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1C=C3C(=O)C(C3=O)N4CCCCC4)C)C

InChI

InChI=1S/C21H25N2O2/c1-21(2)15-9-5-6-10-16(15)22(3)17(21)13-14-19(24)18(20(14)25)23-11-7-4-8-12-23/h5-6,9-10,13,18H,4,7-8,11-12H2,1-3H3/q+1