methyl (3S,4R)-4-naphthalen-2-ylpiperidin-1-ium-3-carboxylate chloride

Systemtic Name: methyl (3S,4R)-4-naphthalen-2-ylpiperidin-1-ium-3-carboxylate chloride Openeye Name: methyl (3S,4R)-4-(2-naphthyl)piperidin-1-ium-3-carboxylate chloride CAS Name: (3S,4R)-4-(2-naphthalenyl)-3-piperidin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl (3S,4R)-4-naphthalen-2-ylpiperidin-1-ium-3-carboxylate chloride Traditional Name: (3S,4R)-4-(2-naphthyl)piperidin-1-ium-3-carboxylic acid methyl ester chloride Formula: C17H20ClNO2 MolecularWeight: 305.7992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH2+]CCC1C2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

COC(=O)[C@@H]1C[NH2+]CC[C@H]1C2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C17H19NO2.ClH/c1-20-17(19)16-11-18-9-8-15(16)14-7-6-12-4-2-3-5-13(12)10-14;/h2-7,10,15-16,18H,8-9,11H2,1H3;1H/t15-,16+;/m0./s1