(2S)-2-ethyl-7-methoxy-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-2-ethyl-7-methoxy-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-ethyl-7-methoxy-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-ethyl-7-methoxy-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-ethyl-7-methoxy-4-[(2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-ethyl-7-methoxy-4-o-anisyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H26NO3+ MolecularWeight: 328.42534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC=CC=C3OC

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC=CC=C3OC

InChI

InChI=1S/C20H25NO3/c1-4-17-14-21(12-15-7-5-6-8-19(15)23-3)13-16-11-18(22-2)9-10-20(16)24-17/h5-11,17H,4,12-14H2,1-3H3/p+1/t17-/m0/s1