methyl 2-(azocan-1-ium-1-ylmethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-(azocan-1-ium-1-ylmethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-(azocan-1-ium-1-ylmethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(1-azocan-1-iumylmethyl)-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ium-1-ylmethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCCCCCC3)C(=O)OC

InChI

InChI=1S/C20H26N2O2/c1-15-16-10-6-7-11-17(16)21-18(19(15)20(23)24-2)14-22-12-8-4-3-5-9-13-22/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3/p+1