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

Systemtic Name: 9-methoxy-7-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(3-methoxyphenyl)-4-(3-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(3-methoxyphenyl)-4-(3-thiophenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(3-methoxyphenyl)-4-(3-thenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H24NO3S+ MolecularWeight: 382.49586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CSC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CSC=C4

InChI

InChI=1S/C22H23NO3S/c1-24-20-5-3-4-17(11-20)18-10-19-14-23(13-16-6-9-27-15-16)7-8-26-22(19)21(12-18)25-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3/p+1