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

Systemtic Name: 9-methoxy-7-(5-methylthiophen-2-yl)-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(5-methyl-2-thienyl)-4-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(5-methyl-2-thiophenyl)-4-(3-pyridinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(5-methylthiophen-2-yl)-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(5-methyl-2-thienyl)-4-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CN=CC=C4

InChI

InChI=1S/C21H22N2O2S/c1-15-5-6-20(26-15)17-10-18-14-23(13-16-4-3-7-22-12-16)8-9-25-21(18)19(11-17)24-2/h3-7,10-12H,8-9,13-14H2,1-2H3/p+1