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

Systemtic Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H21N2O2S+ MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CN3)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CN3)C4=CC=CS4

InChI

InChI=1S/C19H20N2O2S/c1-22-17-11-14(18-5-3-9-24-18)10-15-12-21(7-8-23-19(15)17)13-16-4-2-6-20-16/h2-6,9-11,20H,7-8,12-13H2,1H3/p+1