(2S)-1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)ethanimine

Systemtic Name: (2S)-1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)ethanimine Openeye Name: (2S)-1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)ethanimine CAS Name: (2S)-1-(1-benzotriazolyl)-N-(1-benzotriazolylmethyl)-2-(4-morpholin-4-iumyl)-2-(4-nitrophenyl)ethanimine IUPAC Name: (2S)-1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)ethanimine Traditional Name: benzotriazol-1-ylmethyl-[(2S)-1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)ethylidene]amine Formula: C25H24N9O3+ MolecularWeight: 498.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C2=CC=C(C=C2)[N+](=O)[O-])C(=NCN3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1COCC[NH+]1[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])C(=NCN3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C25H23N9O3/c35-34(36)19-11-9-18(10-12-19)24(31-13-15-37-16-14-31)25(33-23-8-4-2-6-21(23)28-30-33)26-17-32-22-7-3-1-5-20(22)27-29-32/h1-12,24H,13-17H2/p+1/t24-/m0/s1