[(2S)-1-[2-(benzotriazol-1-yl)ethanoylamino]-3-phenyl-propan-2-yl]-diethyl-azanium

Systemtic Name: [(2S)-1-[2-(benzotriazol-1-yl)ethanoylamino]-3-phenyl-propan-2-yl]-diethyl-azanium Openeye Name: [(1S)-1-[[[2-(benzotriazol-1-yl)acetyl]amino]methyl]-2-phenyl-ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylpropan-2-yl]-diethylazanium Traditional Name: [(1S)-1-[[[2-(benzotriazol-1-yl)acetyl]amino]methyl]-2-phenyl-ethyl]-diethyl-ammonium Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H27N5O/c1-3-25(4-2)18(14-17-10-6-5-7-11-17)15-22-21(27)16-26-20-13-9-8-12-19(20)23-24-26/h5-13,18H,3-4,14-16H2,1-2H3,(H,22,27)/p+1/t18-/m0/s1