[(3S,4S)-3-ethoxycarbonylpiperidin-1-ium-4-yl]-[(1S)-1-phenylethyl]azanium dichloride

Systemtic Name: [(3S,4S)-3-ethoxycarbonylpiperidin-1-ium-4-yl]-[(1S)-1-phenylethyl]azanium dichloride Openeye Name: [(3S,4S)-3-ethoxycarbonylpiperidin-1-ium-4-yl]-[(1S)-1-phenylethyl]ammonium dichloride CAS Name: [(3S,4S)-3-ethoxycarbonyl-4-piperidin-1-iumyl]-[(1S)-1-phenylethyl]ammonium dichloride IUPAC Name: [(3S,4S)-3-ethoxycarbonylpiperidin-1-ium-4-yl]-[(1S)-1-phenylethyl]azanium dichloride Traditional Name: [(3S,4S)-3-carbethoxypiperidin-1-ium-4-yl]-[(1S)-1-phenylethyl]ammonium dichloride Formula: C16H26Cl2N2O2 MolecularWeight: 349.29584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH2+]CCC1[NH2+]C(C)C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](C)C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C16H24N2O2.2ClH/c1-3-20-16(19)14-11-17-10-9-15(14)18-12(2)13-7-5-4-6-8-13;;/h4-8,12,14-15,17-18H,3,9-11H2,1-2H3;2*1H/t12-,14-,15-;;/m0../s1