[(2S)-1-oxidanylidene-1-[[5-(4-phenylpiperazin-1-yl)pyridin-2-yl]amino]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[[5-(4-phenylpiperazin-1-yl)pyridin-2-yl]amino]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-[[5-(4-phenylpiperazin-1-yl)-2-pyridyl]amino]ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[[5-(4-phenyl-1-piperazinyl)-2-pyridinyl]amino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-1-[[5-(4-phenylpiperazin-1-yl)pyridin-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[5-(4-phenylpiperazino)-2-pyridyl]amino]ethyl]ammonium Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C18H23N5O/c1-14(19)18(24)21-17-8-7-16(13-20-17)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8,13-14H,9-12,19H2,1H3,(H,20,21,24)/p+1/t14-/m0/s1