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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CC3=CC(=C(C=C3)O)OC

InChI

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