N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(2-nitroanilino)propanamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(2-nitroanilino)propionamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C19H24N4O4S/c24-19(7-8-20-15-4-1-2-5-16(15)23(25)26)21-14-17(18-6-3-13-28-18)22-9-11-27-12-10-22/h1-6,13,17,20H,7-12,14H2,(H,21,24)/p+1/t17-/m0/s1