[(S)-benzotriazol-1-yl-(4-fluorophenyl)methyl]-butyl-(phenylmethyl)azanium

Systemtic Name: [(S)-benzotriazol-1-yl-(4-fluorophenyl)methyl]-butyl-(phenylmethyl)azanium Openeye Name: [(S)-benzotriazol-1-yl-(4-fluorophenyl)methyl]-benzyl-butyl-ammonium CAS Name: [(S)-1-benzotriazolyl-(4-fluorophenyl)methyl]-butyl-(phenylmethyl)ammonium IUPAC Name: [(S)-benzotriazol-1-yl-(4-fluorophenyl)methyl]-benzyl-butylazanium Traditional Name: [(S)-benzotriazol-1-yl-(4-fluorophenyl)methyl]-benzyl-butyl-ammonium Formula: C24H26FN4+ MolecularWeight: 389.488443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)C(C2=CC=C(C=C2)F)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)[C@H](C2=CC=C(C=C2)F)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H25FN4/c1-2-3-17-28(18-19-9-5-4-6-10-19)24(20-13-15-21(25)16-14-20)29-23-12-8-7-11-22(23)26-27-29/h4-16,24H,2-3,17-18H2,1H3/p+1/t24-/m0/s1