1-[3-[(6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]pyrrolidine-3-carbonitrile

Systemtic Name: 1-[3-[(6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]pyrrolidine-3-carbonitrile Openeye Name: 1-[3-[(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]pyrrolidine-3-carbonitrile CAS Name: 1-[3-[(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]-3-pyrrolidinecarbonitrile IUPAC Name: 1-[3-[(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]pyrrolidine-3-carbonitrile Traditional Name: 1-[3-[(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]pyrrolidine-3-carbonitrile Formula: C16H20N6O MolecularWeight: 312.3696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=NC(=N2)NCCCN3CCC(C3)C#N)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=NC(=N2)NCCCN3CCC(C3)C#N)[O-]

InChI

InChI=1S/C16H20N6O/c1-12-3-4-15-14(9-12)19-16(20-22(15)23)18-6-2-7-21-8-5-13(10-17)11-21/h3-4,9,13H,2,5-8,11H2,1H3,(H,18,19,20)