[(4S)-8-chloranyl-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] ethanoate chloride

Systemtic Name: [(4S)-8-chloranyl-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] ethanoate chloride Openeye Name: [(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate chloride CAS Name: acetic acid [(4S)-8-chloro-4-(1-piperidin-1-iumylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] ester chloride IUPAC Name: [(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate chloride Traditional Name: acetic acid [(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] ester chloride Formula: C18H25Cl2NO3 MolecularWeight: 374.302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CCOC2=C1C=CC(=C2)Cl)C[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CC(=O)OC1[C@@H](CCOC2=C1C=CC(=C2)Cl)C[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C18H24ClNO3.ClH/c1-13(21)23-18-14(12-20-8-3-2-4-9-20)7-10-22-17-11-15(19)5-6-16(17)18;/h5-6,11,14,18H,2-4,7-10,12H2,1H3;1H/t14-,18?;/m0./s1