[3-oxidanylidene-3-[[6-[[(1S)-1-phenylethyl]amino]pyridin-3-yl]amino]propyl]azanium

Systemtic Name: [3-oxidanylidene-3-[[6-[[(1S)-1-phenylethyl]amino]pyridin-3-yl]amino]propyl]azanium Openeye Name: [3-oxo-3-[[6-[[(1S)-1-phenylethyl]amino]-3-pyridyl]amino]propyl]ammonium CAS Name: [3-oxo-3-[[6-[[(1S)-1-phenylethyl]amino]-3-pyridinyl]amino]propyl]ammonium IUPAC Name: [3-oxo-3-[[6-[[(1S)-1-phenylethyl]amino]pyridin-3-yl]amino]propyl]azanium Traditional Name: [3-keto-3-[[6-[[(1S)-1-phenylethyl]amino]-3-pyridyl]amino]propyl]ammonium Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=C(C=C2)NC(=O)CC[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=C(C=C2)NC(=O)CC[NH3+]

InChI

InChI=1S/C16H20N4O/c1-12(13-5-3-2-4-6-13)19-15-8-7-14(11-18-15)20-16(21)9-10-17/h2-8,11-12H,9-10,17H2,1H3,(H,18,19)(H,20,21)/p+1/t12-/m0/s1