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

Systemtic Name: 7-(1-benzothiophen-3-yl)-4-(furan-3-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(benzothiophen-3-yl)-4-(3-furylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1-benzothiophen-3-yl)-4-(3-furanylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1-benzothiophen-3-yl)-4-(furan-3-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(benzothiophen-3-yl)-4-(3-furfuryl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H22NO3S+ MolecularWeight: 392.49068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=COC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=COC=C3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C23H21NO3S/c1-25-21-11-17(20-15-28-22-5-3-2-4-19(20)22)10-18-13-24(7-9-27-23(18)21)12-16-6-8-26-14-16/h2-6,8,10-11,14-15H,7,9,12-13H2,1H3/p+1