N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-6-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-6-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: N-[2-(2,6-dimethyl-1-piperidyl)ethyl]-6-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-6-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-6-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: 2-(2,6-dimethylpiperidino)ethyl-(6-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCNC2=NC3=C(C=CC(=C3)OC)[N+](=N2)[O-])C

Isomeric SMILES

CC1CCCC(N1CCNC2=NC3=C(C=CC(=C3)OC)[N+](=N2)[O-])C

InChI

InChI=1S/C17H25N5O2/c1-12-5-4-6-13(2)21(12)10-9-18-17-19-15-11-14(24-3)7-8-16(15)22(23)20-17/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,18,19,20)