2-(benzotriazol-1-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(Z)-[(1S)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-ylidene]amino]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]acetamide Formula: C21H25N6O2+ MolecularWeight: 393.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C2=CC=CC=C2N=N1)C(C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C/C(=N/NC(=O)CN1C2=CC=CC=C2N=N1)/[C@H](C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C21H24N6O2/c1-16(21(17-7-3-2-4-8-17)26-11-13-29-14-12-26)22-24-20(28)15-27-19-10-6-5-9-18(19)23-25-27/h2-10,21H,11-15H2,1H3,(H,24,28)/p+1/b22-16-/t21-/m1/s1