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

Systemtic Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(2-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(2-thenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H26NO4S+ MolecularWeight: 412.52184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CS4

InChI

InChI=1S/C23H25NO4S/c1-25-20-8-4-7-19(23(20)27-3)16-12-17-14-24(15-18-6-5-11-29-18)9-10-28-22(17)21(13-16)26-2/h4-8,11-13H,9-10,14-15H2,1-3H3/p+1