methyl (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-naphthalen-1-yl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-naphthalen-1-yl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-(1-naphthyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-(1-naphthalenyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-naphthalen-1-ylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5S)-2-methyl-4-methylol-5-(1-naphthyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H22NO3+ MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH2+]1)C2=CC=CC3=CC=CC=C32)CO)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@H]([NH2+]1)C2=CC=CC3=CC=CC=C32)CO)C(=O)OC

InChI

InChI=1S/C18H21NO3/c1-18(17(21)22-2)10-13(11-20)16(19-18)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,16,19-20H,10-11H2,1-2H3/p+1/t13-,16+,18+/m1/s1