methyl 2-methyl-4-oxidanyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-1-ium-6-carboxylate

Systemtic Name: methyl 2-methyl-4-oxidanyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-1-ium-6-carboxylate Openeye Name: methyl 4-hydroxy-2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-1-ium-6-carboxylate CAS Name: 4-hydroxy-2-methyl-3-(1-pyrrolidin-1-iumylmethyl)-6-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-hydroxy-2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-1-ium-6-carboxylate Traditional Name: 4-hydroxy-2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-1-ium-6-carboxylic acid methyl ester Formula: C17H22N2O3+2 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)C(=O)OC)C(=C1C[NH+]3CCCC3)O

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)C(=O)OC)C(=C1C[NH+]3CCCC3)O

InChI

InChI=1S/C17H20N2O3/c1-11-14(10-19-7-3-4-8-19)16(20)13-9-12(17(21)22-2)5-6-15(13)18-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,20)/p+2