methyl (3R)-3-naphthalen-2-ylsulfonyl-3-piperidin-1-ium-1-yl-propanoate

Systemtic Name: methyl (3R)-3-naphthalen-2-ylsulfonyl-3-piperidin-1-ium-1-yl-propanoate Openeye Name: methyl (3R)-3-(2-naphthylsulfonyl)-3-piperidin-1-ium-1-yl-propanoate CAS Name: (3R)-3-(2-naphthalenylsulfonyl)-3-(1-piperidin-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl (3R)-3-naphthalen-2-ylsulfonyl-3-piperidin-1-ium-1-ylpropanoate Traditional Name: (3R)-3-(2-naphthylsulfonyl)-3-piperidin-1-ium-1-yl-propionic acid methyl ester Formula: C19H24NO4S+ MolecularWeight: 362.46316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC([NH+]1CCCCC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C[C@H]([NH+]1CCCCC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H23NO4S/c1-24-19(21)14-18(20-11-5-2-6-12-20)25(22,23)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,18H,2,5-6,11-12,14H2,1H3/p+1/t18-/m1/s1