1-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzotriazole

Systemtic Name: 1-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzotriazole Openeye Name: 1-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzotriazole CAS Name: 1-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]benzotriazole IUPAC Name: 1-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzotriazole Traditional Name: 1-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzotriazole Formula: C12H17N4+ MolecularWeight: 217.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC([NH+]1CCCC1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H]([NH+]1CCCC1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H16N4/c1-10(15-8-4-5-9-15)16-12-7-3-2-6-11(12)13-14-16/h2-3,6-7,10H,4-5,8-9H2,1H3/p+1/t10-/m0/s1