(2S)-2-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-N-(phenylmethyl)ethanamide

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-N-(phenylmethyl)ethanamide Openeye Name: (2S)-2-(benzotriazol-1-yl)-N-benzyl-2-morpholin-4-ium-4-yl-acetamide CAS Name: (2S)-2-(1-benzotriazolyl)-2-(4-morpholin-4-iumyl)-N-(phenylmethyl)acetamide IUPAC Name: (2S)-2-(benzotriazol-1-yl)-N-benzyl-2-morpholin-4-ium-4-ylacetamide Traditional Name: (2S)-2-(benzotriazol-1-yl)-N-benzyl-2-morpholin-4-ium-4-yl-acetamide Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C(=O)NCC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1COCC[NH+]1[C@H](C(=O)NCC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H21N5O2/c25-18(20-14-15-6-2-1-3-7-15)19(23-10-12-26-13-11-23)24-17-9-5-4-8-16(17)21-22-24/h1-9,19H,10-14H2,(H,20,25)/p+1/t19-/m0/s1