2-methoxy-5-[[(2S)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol

Systemtic Name: 2-methoxy-5-[[(2S)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 2-methoxy-5-[[(2S)-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 2-methoxy-5-[[(2S)-7-methyl-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 2-methoxy-5-[[(2S)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 2-methoxy-5-[[(2S)-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C22H24NO3S+ MolecularWeight: 382.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C[NH+](C2)CC3=CC(=C(C=C3)OC)O)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C[NH+](C2)CC3=CC(=C(C=C3)OC)O)C4=CSC=C4

InChI

InChI=1S/C22H23NO3S/c1-15-3-5-20-18(9-15)12-23(13-22(26-20)17-7-8-27-14-17)11-16-4-6-21(25-2)19(24)10-16/h3-10,14,22,24H,11-13H2,1-2H3/p+1/t22-/m1/s1