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

Systemtic Name: 7-(3-chlorophenyl)-9-methoxy-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(3-chlorophenyl)-9-methoxy-4-(3-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(3-chlorophenyl)-9-methoxy-4-(3-thiophenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(3-chlorophenyl)-9-methoxy-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(3-chlorophenyl)-9-methoxy-4-(3-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=CSC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CSC=C3)C4=CC(=CC=C4)Cl

InChI

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