5-methoxy-1-(pyrrolidin-1-ium-1-ylmethyl)benzotriazole

Systemtic Name: 5-methoxy-1-(pyrrolidin-1-ium-1-ylmethyl)benzotriazole Openeye Name: 5-methoxy-1-(pyrrolidin-1-ium-1-ylmethyl)benzotriazole CAS Name: 5-methoxy-1-(1-pyrrolidin-1-iumylmethyl)benzotriazole IUPAC Name: 5-methoxy-1-(pyrrolidin-1-ium-1-ylmethyl)benzotriazole Traditional Name: 5-methoxy-1-(pyrrolidin-1-ium-1-ylmethyl)benzotriazole Formula: C12H17N4O+ MolecularWeight: 233.28958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(N=N2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)N(N=N2)C[NH+]3CCCC3

InChI

InChI=1S/C12H16N4O/c1-17-10-4-5-12-11(8-10)13-14-16(12)9-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3/p+1