[(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-(furan-2-ylmethyl)azanium

Systemtic Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-(furan-2-ylmethyl)azanium Openeye Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-(2-furylmethyl)ammonium CAS Name: [(S)-1-benzotriazolyl(phenyl)methyl]-butyl-(2-furanylmethyl)ammonium IUPAC Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-(furan-2-ylmethyl)azanium Traditional Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-(2-furfuryl)ammonium Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CO1)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCC[NH+](CC1=CC=CO1)[C@H](C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H24N4O/c1-2-3-15-25(17-19-12-9-16-27-19)22(18-10-5-4-6-11-18)26-21-14-8-7-13-20(21)23-24-26/h4-14,16,22H,2-3,15,17H2,1H3/p+1/t22-/m0/s1