2-[(3-ethyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)methylidene]-4-phenylazanyl-cyclobutane-1,3-dione

Systemtic Name: 2-[(3-ethyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)methylidene]-4-phenylazanyl-cyclobutane-1,3-dione Openeye Name: 2-anilino-4-[(3-ethyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)methylene]cyclobutane-1,3-dione CAS Name: 2-anilino-4-[(3-ethyl-1,1-dimethyl-2-benzo[e]indol-3-iumyl)methylidene]cyclobutane-1,3-dione IUPAC Name: 2-anilino-4-[(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)methylidene]cyclobutane-1,3-dione Traditional Name: 2-anilino-4-[(3-ethyl-1,1-dimethyl-benz[e]indol-3-ium-2-yl)methylene]cyclobutane-1,3-quinone Formula: C27H25N2O2+ MolecularWeight: 409.4996

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=C4C(=O)C(C4=O)NC5=CC=CC=C5

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=C4C(=O)C(C4=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H25N2O2/c1-4-29-21-15-14-17-10-8-9-13-19(17)23(21)27(2,3)22(29)16-20-25(30)24(26(20)31)28-18-11-6-5-7-12-18/h5-16,24,28H,4H2,1-3H3/q+1