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

Systemtic Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]quinoline-2-carboxamide Openeye Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]quinoline-2-carboxamide CAS Name: N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-quinolinecarboxamide IUPAC Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]quinoline-2-carboxamide Traditional Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]quinaldamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=NC3=CC=CC=C3C=C2)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=NC3=CC=CC=C3C=C2)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S/c24-20(17-8-7-15-4-1-2-5-16(15)22-17)21-14-18(19-6-3-13-26-19)23-9-11-25-12-10-23/h1-8,13,18H,9-12,14H2,(H,21,24)/p+1/t18-/m1/s1