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

Systemtic Name: 9-methoxy-4-[(5-methylthiophen-2-yl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(5-methyl-2-thienyl)methyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(5-methyl-2-thiophenyl)methyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(5-methylthiophen-2-yl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(5-methyl-2-thienyl)methyl]-7-(3-pyridyl)-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)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

InChI

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