[(S)-benzotriazol-1-yl(phenyl)methyl]-pent-4-enyl-(phenylmethyl)azanium

Systemtic Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-pent-4-enyl-(phenylmethyl)azanium Openeye Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-benzyl-pent-4-enyl-ammonium CAS Name: [(S)-1-benzotriazolyl(phenyl)methyl]-pent-4-enyl-(phenylmethyl)ammonium IUPAC Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-benzyl-pent-4-enylazanium Traditional Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-benzyl-pent-4-enyl-ammonium Formula: C25H27N4+ MolecularWeight: 383.50868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4/c1-2-3-12-19-28(20-21-13-6-4-7-14-21)25(22-15-8-5-9-16-22)29-24-18-11-10-17-23(24)26-27-29/h2,4-11,13-18,25H,1,3,12,19-20H2/p+1/t25-/m0/s1