[(2S)-1-oxidanylidene-1-[[5-[(phenylmethyl)-propan-2-yl-amino]pyridin-2-yl]amino]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[[5-[(phenylmethyl)-propan-2-yl-amino]pyridin-2-yl]amino]propan-2-yl]azanium Openeye Name: [(1S)-2-[[5-[benzyl(isopropyl)amino]-2-pyridyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[[5-[(phenylmethyl)-propan-2-ylamino]-2-pyridinyl]amino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[[5-[benzyl(propan-2-yl)amino]pyridin-2-yl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[[5-[benzyl(isopropyl)amino]-2-pyridyl]amino]-2-keto-1-methyl-ethyl]ammonium Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C2=CN=C(C=C2)NC(=O)C(C)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)N(CC2=CC=CC=C2)C(C)C)[NH3+]

InChI

InChI=1S/C18H24N4O/c1-13(2)22(12-15-7-5-4-6-8-15)16-9-10-17(20-11-16)21-18(23)14(3)19/h4-11,13-14H,12,19H2,1-3H3,(H,20,21,23)/p+1/t14-/m0/s1