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

Systemtic Name: (2S)-7-methyl-4-propan-2-yl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-isopropyl-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-7-methyl-4-propan-2-yl-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-7-methyl-4-propan-2-yl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-isopropyl-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C17H22NOS+ MolecularWeight: 288.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C[NH+](C2)C(C)C)C3=CSC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C[NH+](C2)C(C)C)C3=CSC=C3

InChI

InChI=1S/C17H21NOS/c1-12(2)18-9-15-8-13(3)4-5-16(15)19-17(10-18)14-6-7-20-11-14/h4-8,11-12,17H,9-10H2,1-3H3/p+1/t17-/m1/s1