[(5S)-5-(benzotriazol-1-yl)hept-6-enyl]-(phenylmethyl)azanium

Systemtic Name: [(5S)-5-(benzotriazol-1-yl)hept-6-enyl]-(phenylmethyl)azanium Openeye Name: [(5S)-5-(benzotriazol-1-yl)hept-6-enyl]-benzyl-ammonium CAS Name: [(5S)-5-(1-benzotriazolyl)hept-6-enyl]-(phenylmethyl)ammonium IUPAC Name: [(5S)-5-(benzotriazol-1-yl)hept-6-enyl]-benzylazanium Traditional Name: [(5S)-5-(benzotriazol-1-yl)hept-6-enyl]-benzyl-ammonium Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CCCC[NH2+]CC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C=C[C@H](CCCC[NH2+]CC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H24N4/c1-2-18(24-20-14-7-6-13-19(20)22-23-24)12-8-9-15-21-16-17-10-4-3-5-11-17/h2-7,10-11,13-14,18,21H,1,8-9,12,15-16H2/p+1/t18-/m1/s1