2-methyl-4-(4-pyrrolidin-1-ium-1-ylbutylamino)quinoline-6-carboxylic acid

Systemtic Name: 2-methyl-4-(4-pyrrolidin-1-ium-1-ylbutylamino)quinoline-6-carboxylic acid Openeye Name: 2-methyl-4-(4-pyrrolidin-1-ium-1-ylbutylamino)quinoline-6-carboxylic acid CAS Name: 2-methyl-4-[4-(1-pyrrolidin-1-iumyl)butylamino]-6-quinolinecarboxylic acid IUPAC Name: 2-methyl-4-(4-pyrrolidin-1-ium-1-ylbutylamino)quinoline-6-carboxylic acid Traditional Name: 2-methyl-4-(4-pyrrolidin-1-ium-1-ylbutylamino)quinoline-6-carboxylic acid Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1)NCCCC[NH+]3CCCC3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1)NCCCC[NH+]3CCCC3

InChI

InChI=1S/C19H25N3O2/c1-14-12-18(20-8-2-3-9-22-10-4-5-11-22)16-13-15(19(23)24)6-7-17(16)21-14/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,21)(H,23,24)/p+1