benzotriazol-1-ylmethyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: benzotriazol-1-ylmethyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: benzotriazol-1-ylmethyl-[(1S)-1-benzyl-2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 1-benzotriazolylmethyl-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: benzotriazol-1-ylmethyl-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: benzotriazol-1-ylmethyl-[(1S)-1-benzyl-2-keto-2-(p-toluidino)ethyl]ammonium Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)[NH2+]CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)[NH2+]CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H23N5O/c1-17-11-13-19(14-12-17)25-23(29)21(15-18-7-3-2-4-8-18)24-16-28-22-10-6-5-9-20(22)26-27-28/h2-14,21,24H,15-16H2,1H3,(H,25,29)/p+1/t21-/m0/s1