2-(3H-1,3-benzoxazol-2-ylidene)propanedinitrile; cyclohexyl-(3,7-dimethyloctyl)-methyl-azanium

Systemtic Name: 2-(3H-1,3-benzoxazol-2-ylidene)propanedinitrile; cyclohexyl-(3,7-dimethyloctyl)-methyl-azanium Openeye Name: 2-(3H-1,3-benzoxazol-2-ylidene)propanedinitrile; cyclohexyl-(3,7-dimethyloctyl)-methyl-ammonium CAS Name: 2-(3H-1,3-benzoxazol-2-ylidene)propanedinitrile; cyclohexyl-(3,7-dimethyloctyl)-methylammonium IUPAC Name: 2-(3H-1,3-benzoxazol-2-ylidene)propanedinitrile; cyclohexyl-(3,7-dimethyloctyl)-methylazanium Traditional Name: 2-(3H-1,3-benzoxazol-2-ylidene)malononitrile; cyclohexyl-(3,7-dimethyloctyl)-methyl-ammonium Formula: C27H41N4O+ MolecularWeight: 437.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CC[NH+](C)C1CCCCC1.C1=CC=C2C(=C1)NC(=C(C#N)C#N)O2

Isomeric SMILES

CC(C)CCCC(C)CC[NH+](C)C1CCCCC1.C1=CC=C2C(=C1)NC(=C(C#N)C#N)O2

InChI

InChI=1S/C17H35N.C10H5N3O/c1-15(2)9-8-10-16(3)13-14-18(4)17-11-6-5-7-12-17;11-5-7(6-12)10-13-8-3-1-2-4-9(8)14-10/h15-17H,5-14H2,1-4H3;1-4,13H/p+1