(2S)-2-(benzotriazol-1-yl)-3-morpholin-4-ium-4-yl-N-phenyl-propanamide

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-3-morpholin-4-ium-4-yl-N-phenyl-propanamide Openeye Name: (2S)-2-(benzotriazol-1-yl)-3-morpholin-4-ium-4-yl-N-phenyl-propanamide CAS Name: (2S)-2-(1-benzotriazolyl)-3-(4-morpholin-4-iumyl)-N-phenylpropanamide IUPAC Name: (2S)-2-(benzotriazol-1-yl)-3-morpholin-4-ium-4-yl-N-phenylpropanamide Traditional Name: (2S)-2-(benzotriazol-1-yl)-3-morpholin-4-ium-4-yl-N-phenyl-propionamide Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C(=O)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C(=O)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H21N5O2/c25-19(20-15-6-2-1-3-7-15)18(14-23-10-12-26-13-11-23)24-17-9-5-4-8-16(17)21-22-24/h1-9,18H,10-14H2,(H,20,25)/p+1/t18-/m0/s1