4-[(2-chlorophenyl)methyl]-9-methoxy-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-[(2-chlorophenyl)methyl]-9-methoxy-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(2-chlorophenyl)methyl]-9-methoxy-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(2-chlorophenyl)methyl]-9-methoxy-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(2-chlorophenyl)methyl]-9-methoxy-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(2-chlorobenzyl)-9-methoxy-7-(2-thienyl)-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=CC=C3Cl)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CC=C3Cl)C4=CC=CS4

InChI

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