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

Systemtic Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Openeye Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium CAS Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium IUPAC Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Traditional Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium Formula: C21H23N2O+ MolecularWeight: 319.42012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)CCCCC3

InChI

InChI=1S/C21H23N2O/c1-24-19-13-11-17(12-14-19)20-16-22-15-7-3-6-10-21(22)23(20)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3/q+1