2-[[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol

Systemtic Name: 2-[[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 2-[[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 2-[[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 2-[[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 2-[[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C18H22NO3+ MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC3=CC=CC=C3O

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC3=CC=CC=C3O

InChI

InChI=1S/C18H21NO3/c1-13-10-19(11-14-5-3-4-6-17(14)20)12-15-7-8-16(21-2)9-18(15)22-13/h3-9,13,20H,10-12H2,1-2H3/p+1/t13-/m0/s1