N-[(1S,3R)-1-(benzotriazol-2-yl)-3-morpholin-4-ium-4-yl-3-phenyl-propyl]-N-methyl-ethanamide

Systemtic Name: N-[(1S,3R)-1-(benzotriazol-2-yl)-3-morpholin-4-ium-4-yl-3-phenyl-propyl]-N-methyl-ethanamide Openeye Name: N-[(1S,3R)-1-(benzotriazol-2-yl)-3-morpholin-4-ium-4-yl-3-phenyl-propyl]-N-methyl-acetamide CAS Name: N-[(1S,3R)-1-(2-benzotriazolyl)-3-(4-morpholin-4-iumyl)-3-phenylpropyl]-N-methylacetamide IUPAC Name: N-[(1S,3R)-1-(benzotriazol-2-yl)-3-morpholin-4-ium-4-yl-3-phenylpropyl]-N-methylacetamide Traditional Name: N-[(1S,3R)-1-(benzotriazol-2-yl)-3-morpholin-4-ium-4-yl-3-phenyl-propyl]-N-methyl-acetamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C(CC(C1=CC=CC=C1)[NH+]2CCOCC2)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC(=O)N(C)[C@H](C[C@H](C1=CC=CC=C1)[NH+]2CCOCC2)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C22H27N5O2/c1-17(28)25(2)22(27-23-19-10-6-7-11-20(19)24-27)16-21(18-8-4-3-5-9-18)26-12-14-29-15-13-26/h3-11,21-22H,12-16H2,1-2H3/p+1/t21-,22+/m1/s1