methyl (2S,4S)-4-(4-chloranylnaphthalen-1-yl)oxypyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(4-chloranylnaphthalen-1-yl)oxypyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(4-chloro-1-naphthyl)oxy]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[(4-chloro-1-naphthalenyl)oxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-chloronaphthalen-1-yl)oxypyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(4-chloro-1-naphthoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H17ClNO3+ MolecularWeight: 306.76408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=C(C3=CC=CC=C32)Cl

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=C(C3=CC=CC=C32)Cl

InChI

InChI=1S/C16H16ClNO3/c1-20-16(19)14-8-10(9-18-14)21-15-7-6-13(17)11-4-2-3-5-12(11)15/h2-7,10,14,18H,8-9H2,1H3/p+1/t10-,14-/m0/s1