7-(1-benzothiophen-3-yl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(benzothiophen-3-yl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(benzothiophen-3-yl)-9-methoxy-4-(1H-pyrrol-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CN3)C4=CSC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CN3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C23H22N2O2S/c1-26-21-12-16(20-15-28-22-7-3-2-6-19(20)22)11-17-13-25(9-10-27-23(17)21)14-18-5-4-8-24-18/h2-8,11-12,15,24H,9-10,13-14H2,1H3/p+1