7-(2,3-dimethoxyphenyl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H27N2O4+ MolecularWeight: 395.47148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CN4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CN4

InChI

InChI=1S/C23H26N2O4/c1-26-20-8-4-7-19(23(20)28-3)16-12-17-14-25(15-18-6-5-9-24-18)10-11-29-22(17)21(13-16)27-2/h4-9,12-13,24H,10-11,14-15H2,1-3H3/p+1