bis[(3R)-3-(benzotriazol-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-ethyl-azanium

Systemtic Name: bis[(3R)-3-(benzotriazol-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-ethyl-azanium Openeye Name: bis[(3R)-3-(benzotriazol-1-yl)-3-(2-oxopyrrolidin-1-yl)propyl]-ethyl-ammonium CAS Name: bis[(3R)-3-(1-benzotriazolyl)-3-(2-oxo-1-pyrrolidinyl)propyl]-ethylammonium IUPAC Name: bis[(3R)-3-(benzotriazol-1-yl)-3-(2-oxopyrrolidin-1-yl)propyl]-ethylazanium Traditional Name: bis[(3R)-3-(benzotriazol-1-yl)-3-(2-ketopyrrolidino)propyl]-ethyl-ammonium Formula: C28H36N9O2+ MolecularWeight: 530.64454

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(N1CCCC1=O)N2C3=CC=CC=C3N=N2)CCC(N4CCCC4=O)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CC[NH+](CC[C@H](N1CCCC1=O)N2C3=CC=CC=C3N=N2)CC[C@H](N4CCCC4=O)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H35N9O2/c1-2-33(19-15-25(34-17-7-13-27(34)38)36-23-11-5-3-9-21(23)29-31-36)20-16-26(35-18-8-14-28(35)39)37-24-12-6-4-10-22(24)30-32-37/h3-6,9-12,25-26H,2,7-8,13-20H2,1H3/p+1/t25-,26-/m1/s1