4-[[4-(2,3-dimethylquinoxalin-6-yl)carbonyl-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,3-dimethylquinoxalin-6-yl)carbonyl-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)C#N)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)C#N)N=C1C

InChI

InChI=1S/C24H25N5O/c1-17-18(2)27-23-14-21(8-9-22(23)26-17)24(30)29-11-3-10-28(12-13-29)16-20-6-4-19(15-25)5-7-20/h4-9,14H,3,10-13,16H2,1-2H3/p+1