1,2-bis(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

Systemtic Name: 1,2-bis(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Openeye Name: 1,2-bis(p-tolyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium CAS Name: 1,2-bis(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium IUPAC Name: 1,2-bis(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Traditional Name: 1,2-bis(p-tolyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium Formula: C22H25N2+ MolecularWeight: 317.4473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=C(C=C4)C)CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=C(C=C4)C)CCCCC3

InChI

InChI=1S/C22H25N2/c1-17-7-11-19(12-8-17)21-16-23-15-5-3-4-6-22(23)24(21)20-13-9-18(2)10-14-20/h7-14,16H,3-6,15H2,1-2H3/q+1