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

Systemtic Name: benzotriazol-1-ylmethyl-[(2S)-1-(dibutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: benzotriazol-1-ylmethyl-[(1S)-1-benzyl-2-(dibutylamino)-2-oxo-ethyl]ammonium CAS Name: 1-benzotriazolylmethyl-[(2S)-1-(dibutylamino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: benzotriazol-1-ylmethyl-[(2S)-1-(dibutylamino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: benzotriazol-1-ylmethyl-[(1S)-1-benzyl-2-(dibutylamino)-2-keto-ethyl]ammonium Formula: C24H34N5O+ MolecularWeight: 408.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C(CC1=CC=CC=C1)[NH2+]CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCN(CCCC)C(=O)[C@H](CC1=CC=CC=C1)[NH2+]CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C24H33N5O/c1-3-5-16-28(17-6-4-2)24(30)22(18-20-12-8-7-9-13-20)25-19-29-23-15-11-10-14-21(23)26-27-29/h7-15,22,25H,3-6,16-19H2,1-2H3/p+1/t22-/m0/s1