methyl 3-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-(1-pyrrolidin-1-iumylmethyl)-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)naphthalene-2-carboxylic acid methyl ester Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCCC3

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCCC3

InChI

InChI=1S/C17H19NO3/c1-21-17(20)14-10-12-6-2-3-7-13(12)15(16(14)19)11-18-8-4-5-9-18/h2-3,6-7,10,19H,4-5,8-9,11H2,1H3/p+1