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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC(OC3=CC=CC=C3C2)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2C[C@@H](OC3=CC=CC=C3C2)C)OC

InChI

InChI=1S/C20H25NO3/c1-4-23-20-11-16(9-10-19(20)22-3)13-21-12-15(2)24-18-8-6-5-7-17(18)14-21/h5-11,15H,4,12-14H2,1-3H3/p+1/t15-/m0/s1