methyl 4-methyl-2-[[4-(methylcarbamoyl)piperidin-1-ium-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[4-(methylcarbamoyl)piperidin-1-ium-1-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-(methylcarbamoyl)piperidin-1-ium-1-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(methylcarbamoyl)-1-piperidin-1-iumyl]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(methylcarbamoyl)piperidin-1-ium-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(methylcarbamoyl)piperidin-1-ium-1-yl]methyl]quinoline-3-carboxylic acid methyl ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCC(CC3)C(=O)NC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCC(CC3)C(=O)NC)C(=O)OC

InChI

InChI=1S/C20H25N3O3/c1-13-15-6-4-5-7-16(15)22-17(18(13)20(25)26-3)12-23-10-8-14(9-11-23)19(24)21-2/h4-7,14H,8-12H2,1-3H3,(H,21,24)/p+1