N-[(1S)-1-(benzotriazol-1-yl)-4-morpholin-4-ium-4-yl-butyl]-N-methyl-ethanamide

Systemtic Name: N-[(1S)-1-(benzotriazol-1-yl)-4-morpholin-4-ium-4-yl-butyl]-N-methyl-ethanamide Openeye Name: N-[(1S)-1-(benzotriazol-1-yl)-4-morpholin-4-ium-4-yl-butyl]-N-methyl-acetamide CAS Name: N-[(1S)-1-(1-benzotriazolyl)-4-(4-morpholin-4-iumyl)butyl]-N-methylacetamide IUPAC Name: N-[(1S)-1-(benzotriazol-1-yl)-4-morpholin-4-ium-4-ylbutyl]-N-methylacetamide Traditional Name: N-[(1S)-1-(benzotriazol-1-yl)-4-morpholin-4-ium-4-yl-butyl]-N-methyl-acetamide Formula: C17H26N5O2+ MolecularWeight: 332.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C(CCC[NH+]1CCOCC1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=O)N(C)[C@H](CCC[NH+]1CCOCC1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H25N5O2/c1-14(23)20(2)17(8-5-9-21-10-12-24-13-11-21)22-16-7-4-3-6-15(16)18-19-22/h3-4,6-7,17H,5,8-13H2,1-2H3/p+1/t17-/m0/s1