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

Systemtic Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(3-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(3-thiophenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(3-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=CSC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CSC=C4

InChI

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