5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-benzotriazole

Systemtic Name: 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-benzotriazole Openeye Name: 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-benzotriazole CAS Name: 5-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-1-methylbenzotriazole IUPAC Name: 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methylbenzotriazole Traditional Name: 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-benzotriazole Formula: C14H21N4O+ MolecularWeight: 261.34274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH+]3CCC(C3)COC)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH+]3CC[C@@H](C3)COC)N=N1

InChI

InChI=1S/C14H20N4O/c1-17-14-4-3-11(7-13(14)15-16-17)8-18-6-5-12(9-18)10-19-2/h3-4,7,12H,5-6,8-10H2,1-2H3/p+1/t12-/m0/s1