9-methoxy-7-(4-methoxyphenyl)-4-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(4-methoxyphenyl)-4-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-isopropyl-9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(4-methoxyphenyl)-4-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(4-methoxyphenyl)-4-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-isopropyl-9-methoxy-7-(4-methoxyphenyl)-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:

CC(C)[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(C=C3)OC

InChI

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