imidazo[1,2-a]pyridin-2-ylmethyl-[(2S)-4-oxidanylidene-4-[(2-propan-2-ylphenyl)amino]butan-2-yl]azanium

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl-[(2S)-4-oxidanylidene-4-[(2-propan-2-ylphenyl)amino]butan-2-yl]azanium Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl-[(1S)-3-(2-isopropylanilino)-1-methyl-3-oxo-propyl]ammonium CAS Name: 2-imidazo[1,2-a]pyridinylmethyl-[(2S)-4-oxo-4-(2-propan-2-ylanilino)butan-2-yl]ammonium IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl-[(2S)-4-oxo-4-(2-propan-2-ylanilino)butan-2-yl]azanium Traditional Name: imidazo[1,2-a]pyridin-2-ylmethyl-[(1S)-3-(2-isopropylanilino)-3-keto-1-methyl-propyl]ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CC(C)[NH2+]CC2=CN3C=CC=CC3=N2

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=CC=C1C(C)C)[NH2+]CC2=CN3C=CC=CC3=N2

InChI

InChI=1S/C21H26N4O/c1-15(2)18-8-4-5-9-19(18)24-21(26)12-16(3)22-13-17-14-25-11-7-6-10-20(25)23-17/h4-11,14-16,22H,12-13H2,1-3H3,(H,24,26)/p+1/t16-/m0/s1