[(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-(p-tolylmethyl)ammonium CAS Name: [(S)-1-benzotriazolyl(phenyl)methyl]-butyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(S)-benzotriazol-1-yl(phenyl)methyl]-butyl-(4-methylbenzyl)ammonium Formula: C25H29N4+ MolecularWeight: 385.52456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4/c1-3-4-18-28(19-21-16-14-20(2)15-17-21)25(22-10-6-5-7-11-22)29-24-13-9-8-12-23(24)26-27-29/h5-17,25H,3-4,18-19H2,1-2H3/p+1/t25-/m0/s1