(2R)-7-methyl-4-(thian-4-yl)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2R)-7-methyl-4-(thian-4-yl)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2R)-7-methyl-4-tetrahydrothiopyran-4-yl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2R)-7-methyl-4-(4-thianyl)-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2R)-7-methyl-4-(thian-4-yl)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2R)-7-methyl-4-tetrahydrothiopyran-4-yl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H24NOS2+ MolecularWeight: 346.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C[NH+](C2)C3CCSCC3)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C[NH+](C2)C3CCSCC3)C4=CSC=C4

InChI

InChI=1S/C19H23NOS2/c1-14-2-3-18-16(10-14)11-20(17-5-8-22-9-6-17)12-19(21-18)15-4-7-23-13-15/h2-4,7,10,13,17,19H,5-6,8-9,11-12H2,1H3/p+1/t19-/m0/s1