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4-cyclohexyl-7-(2,3-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium
4-cyclohexyl-7-(2,3-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCCC4
Isomeric SMILES
COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCCC4
InChI
InChI=1S/C24H31NO4/c1-26-21-11-7-10-20(24(21)28-3)17-14-18-16-25(19-8-5-4-6-9-19)12-13-29-23(18)22(15-17)27-2/h7,10-11,14-15,19H,4-6,8-9,12-13,16H2,1-3H3/p+1
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