4-[[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-2,6-dimethoxy-phenol Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH+](CC2=CC=CC=C2O1)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-4-5-9-18-15-23(14-17-8-6-7-10-19(17)27-18)13-16-11-20(25-2)22(24)21(12-16)26-3/h6-8,10-12,18,24H,4-5,9,13-15H2,1-3H3/p+1/t18-/m0/s1