1-[(1S)-3-(benzotriazol-1-yl)-1-pyrrolidin-1-ium-1-yl-propyl]benzotriazole

Systemtic Name: 1-[(1S)-3-(benzotriazol-1-yl)-1-pyrrolidin-1-ium-1-yl-propyl]benzotriazole Openeye Name: 1-[(1S)-3-(benzotriazol-1-yl)-1-pyrrolidin-1-ium-1-yl-propyl]benzotriazole CAS Name: 1-[(1S)-3-(1-benzotriazolyl)-1-(1-pyrrolidin-1-iumyl)propyl]benzotriazole IUPAC Name: 1-[(1S)-3-(benzotriazol-1-yl)-1-pyrrolidin-1-ium-1-ylpropyl]benzotriazole Traditional Name: 1-[(1S)-3-(benzotriazol-1-yl)-1-pyrrolidin-1-ium-1-yl-propyl]benzotriazole Formula: C19H22N7+ MolecularWeight: 348.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CCN2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CCN2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H21N7/c1-3-9-17-15(7-1)20-22-25(17)14-11-19(24-12-5-6-13-24)26-18-10-4-2-8-16(18)21-23-26/h1-4,7-10,19H,5-6,11-14H2/p+1/t19-/m0/s1