2-cyclopropyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]quinoline-4-carboxamide

Systemtic Name: 2-cyclopropyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]quinoline-4-carboxamide Openeye Name: 2-cyclopropyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-quinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]quinoline-4-carboxamide Traditional Name: 2-cyclopropyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]cinchoninamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C22H29N3O/c1-16-7-4-5-13-25(16)14-6-12-23-22(26)19-15-21(17-10-11-17)24-20-9-3-2-8-18(19)20/h2-3,8-9,15-17H,4-7,10-14H2,1H3,(H,23,26)/p+1/t16-/m0/s1