[(3S)-3-(benzotriazol-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-bis(phenylmethyl)azanium

Systemtic Name: [(3S)-3-(benzotriazol-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-bis(phenylmethyl)azanium Openeye Name: [(3S)-3-(benzotriazol-1-yl)-3-(2-oxopyrrolidin-1-yl)propyl]-dibenzyl-ammonium CAS Name: [(3S)-3-(1-benzotriazolyl)-3-(2-oxo-1-pyrrolidinyl)propyl]-bis(phenylmethyl)ammonium IUPAC Name: [(3S)-3-(benzotriazol-1-yl)-3-(2-oxopyrrolidin-1-yl)propyl]-dibenzylazanium Traditional Name: [(3S)-3-(benzotriazol-1-yl)-3-(2-ketopyrrolidino)propyl]-dibenzyl-ammonium Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(CC[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC(=O)N(C1)[C@H](CC[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H29N5O/c33-27-16-9-18-31(27)26(32-25-15-8-7-14-24(25)28-29-32)17-19-30(20-22-10-3-1-4-11-22)21-23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2/p+1/t26-/m0/s1