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

Systemtic Name: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (2,3-dimethyl-6-quinoxalinyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2/c1-17-18(2)26-23-15-20(7-10-22(23)25-17)24(29)28-12-4-11-27(13-14-28)16-19-5-8-21(30-3)9-6-19/h5-10,15H,4,11-14,16H2,1-3H3/p+1