2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]cinchoninamide Formula: C27H34N3O4+ MolecularWeight: 464.57656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)[NH+]4CCOCC4

Isomeric SMILES

CC(C)[C@@H](CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)[NH+]4CCOCC4

InChI

InChI=1S/C27H33N3O4/c1-18(2)24(30-11-13-34-14-12-30)17-28-27(31)21-16-23(29-22-8-6-5-7-20(21)22)19-9-10-25(32-3)26(15-19)33-4/h5-10,15-16,18,24H,11-14,17H2,1-4H3,(H,28,31)/p+1/t24-/m1/s1