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

Systemtic Name: 2-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]quinoline-4-carboxamide Openeye Name: 2-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]quinoline-4-carboxamide CAS Name: 2-methyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-quinolinecarboxamide IUPAC Name: 2-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]quinoline-4-carboxamide Traditional Name: 2-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]cinchoninamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O2S/c1-15-13-17(16-5-2-3-6-18(16)23-15)21(25)22-14-19(20-7-4-12-27-20)24-8-10-26-11-9-24/h2-7,12-13,19H,8-11,14H2,1H3,(H,22,25)/p+1/t19-/m0/s1