1,3-bis(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

Systemtic Name: 1,3-bis(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Openeye Name: 1,3-bis(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium CAS Name: 1,3-bis(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium IUPAC Name: 1,3-bis(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Traditional Name: 1,3-bis(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium Formula: C22H25N2O2+ MolecularWeight: 349.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N2O2/c1-25-19-11-7-17(8-12-19)21-16-24(18-9-13-20(26-2)14-10-18)22-6-4-3-5-15-23(21)22/h7-14,16H,3-6,15H2,1-2H3/q+1