[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-pyridin-2-yl-azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-pyridin-2-yl-azanium Openeye Name: [(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-(2-pyridyl)ammonium CAS Name: [(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-(2-pyridinyl)ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-pyridin-2-ylazanium Traditional Name: [(1S)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]-(2-pyridyl)ammonium Formula: C19H25N4O+ MolecularWeight: 325.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CC=CC=N3

InChI

InChI=1S/C19H24N4O/c1-16(21-18-9-5-6-10-20-18)19(24)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,20,21)/p+1/t16-/m0/s1