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

Systemtic Name: (2R)-4-cyclobutyl-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2R)-4-cyclobutyl-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2R)-4-cyclobutyl-7-methyl-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2R)-4-cyclobutyl-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2R)-4-cyclobutyl-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C18H22NOS+ MolecularWeight: 300.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C[NH+](C2)C3CCC3)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C[NH+](C2)C3CCC3)C4=CSC=C4

InChI

InChI=1S/C18H21NOS/c1-13-5-6-17-15(9-13)10-19(16-3-2-4-16)11-18(20-17)14-7-8-21-12-14/h5-9,12,16,18H,2-4,10-11H2,1H3/p+1/t18-/m0/s1