1-(3,3-dimethyl-5-morpholin-4-ium-4-ylidene-cyclohexen-1-yl)-2-[2-(trichloromethyl)quinazolin-4-yl]diazane

Systemtic Name: 1-(3,3-dimethyl-5-morpholin-4-ium-4-ylidene-cyclohexen-1-yl)-2-[2-(trichloromethyl)quinazolin-4-yl]diazane Openeye Name: 1-(3,3-dimethyl-5-morpholin-4-ium-4-ylidene-cyclohexen-1-yl)-2-[2-(trichloromethyl)quinazolin-4-yl]hydrazine CAS Name: 1-[3,3-dimethyl-5-(4-morpholin-4-iumylidene)-1-cyclohexenyl]-2-[2-(trichloromethyl)-4-quinazolinyl]hydrazine IUPAC Name: 1-(3,3-dimethyl-5-morpholin-4-ium-4-ylidenecyclohexen-1-yl)-2-[2-(trichloromethyl)quinazolin-4-yl]hydrazine Traditional Name: 1-(3,3-dimethyl-5-morpholin-4-ium-4-ylidene-cyclohexen-1-yl)-2-[2-(trichloromethyl)quinazolin-4-yl]hydrazine Formula: C21H25Cl3N5O+ MolecularWeight: 469.8151

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=[N+]2CCOCC2)CC(=C1)NNC3=NC(=NC4=CC=CC=C43)C(Cl)(Cl)Cl)C

Isomeric SMILES

CC1(CC(=[N+]2CCOCC2)CC(=C1)NNC3=NC(=NC4=CC=CC=C43)C(Cl)(Cl)Cl)C

InChI

InChI=1S/C21H25Cl3N5O/c1-20(2)12-14(11-15(13-20)29-7-9-30-10-8-29)27-28-18-16-5-3-4-6-17(16)25-19(26-18)21(22,23)24/h3-6,12,27H,7-11,13H2,1-2H3,(H,25,26,28)/q+1