2-cyclopropyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]quinoline-4-carboxamide

Systemtic Name: 2-cyclopropyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]quinoline-4-carboxamide Openeye Name: 2-cyclopropyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-quinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]quinoline-4-carboxamide Traditional Name: 2-cyclopropyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]cinchoninamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NCC(C4=CC=CS4)[NH+]5CCOCC5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC[C@@H](C4=CC=CS4)[NH+]5CCOCC5

InChI

InChI=1S/C23H25N3O2S/c27-23(18-14-20(16-7-8-16)25-19-5-2-1-4-17(18)19)24-15-21(22-6-3-13-29-22)26-9-11-28-12-10-26/h1-6,13-14,16,21H,7-12,15H2,(H,24,27)/p+1/t21-/m0/s1