[4-(2,6-ditert-butylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dipropyl-azanium

Systemtic Name: [4-(2,6-ditert-butylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dipropyl-azanium Openeye Name: [4-(2,6-ditert-butylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dipropyl-ammonium CAS Name: [4-(2,6-ditert-butyl-4-thiopyranylidene)-1-cyclohexa-2,5-dienylidene]-dipropylammonium IUPAC Name: [4-(2,6-ditert-butylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dipropylazanium Traditional Name: [4-(2,6-ditert-butylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dipropyl-ammonium Formula: C25H38NS+ MolecularWeight: 384.64092

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=C1C=CC(=C2C=C(SC(=C2)C(C)(C)C)C(C)(C)C)C=C1)CCC

Isomeric SMILES

CCC[N+](=C1C=CC(=C2C=C(SC(=C2)C(C)(C)C)C(C)(C)C)C=C1)CCC

InChI

InChI=1S/C25H38NS/c1-9-15-26(16-10-2)21-13-11-19(12-14-21)20-17-22(24(3,4)5)27-23(18-20)25(6,7)8/h11-14,17-18H,9-10,15-16H2,1-8H3/q+1