(2R)-1-(benzotriazol-1-yl)-4-methyl-2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)pentan-1-imine

Systemtic Name: (2R)-1-(benzotriazol-1-yl)-4-methyl-2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)pentan-1-imine Openeye Name: (2R)-1-(benzotriazol-1-yl)-4-methyl-2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)pentan-1-imine CAS Name: (2R)-1-(1-benzotriazolyl)-4-methyl-2-(4-morpholin-4-iumyl)-N-(3-nitrophenyl)-1-pentanimine IUPAC Name: (2R)-1-(benzotriazol-1-yl)-4-methyl-2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)pentan-1-imine Traditional Name: [(2R)-1-(benzotriazol-1-yl)-4-methyl-2-morpholin-4-ium-4-yl-pentylidene]-(3-nitrophenyl)amine Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=NC1=CC(=CC=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2)[NH+]4CCOCC4

Isomeric SMILES

CC(C)C[C@H](C(=NC1=CC(=CC=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2)[NH+]4CCOCC4

InChI

InChI=1S/C22H26N6O3/c1-16(2)14-21(26-10-12-31-13-11-26)22(23-17-6-5-7-18(15-17)28(29)30)27-20-9-4-3-8-19(20)24-25-27/h3-9,15-16,21H,10-14H2,1-2H3/p+1/t21-/m1/s1