(4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride

Systemtic Name: (4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride Openeye Name: (4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride CAS Name: (4S,5S)-7,8-dimethyl-4-(1-piperidin-1-iumyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride IUPAC Name: (4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride Traditional Name: (4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(C(CCO2)[NH+]3CCCCC3)O)C.[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=C1)[C@@H]([C@H](CCO2)[NH+]3CCCCC3)O)C.[Cl-]

InChI

InChI=1S/C17H25NO2.ClH/c1-12-10-14-16(11-13(12)2)20-9-6-15(17(14)19)18-7-4-3-5-8-18;/h10-11,15,17,19H,3-9H2,1-2H3;1H/t15-,17-;/m0./s1