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

Systemtic Name: 7-(3-chlorophenyl)-9-methoxy-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(3-chlorophenyl)-9-methoxy-4-(2-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(3-chlorophenyl)-9-methoxy-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(3-chlorophenyl)-9-methoxy-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(3-chlorophenyl)-9-methoxy-4-(2-thenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H21ClNO2S+ MolecularWeight: 386.91494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CS3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CS3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClNO2S/c1-24-20-12-16(15-4-2-5-18(22)11-15)10-17-13-23(7-8-25-21(17)20)14-19-6-3-9-26-19/h2-6,9-12H,7-8,13-14H2,1H3/p+1