[4-oxidanylidene-4-[[6-[[(1S)-1-phenylethyl]amino]pyridin-3-yl]amino]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[[6-[[(1S)-1-phenylethyl]amino]pyridin-3-yl]amino]butyl]azanium Openeye Name: [4-oxo-4-[[6-[[(1S)-1-phenylethyl]amino]-3-pyridyl]amino]butyl]ammonium CAS Name: [4-oxo-4-[[6-[[(1S)-1-phenylethyl]amino]-3-pyridinyl]amino]butyl]ammonium IUPAC Name: [4-oxo-4-[[6-[[(1S)-1-phenylethyl]amino]pyridin-3-yl]amino]butyl]azanium Traditional Name: [4-keto-4-[[6-[[(1S)-1-phenylethyl]amino]-3-pyridyl]amino]butyl]ammonium Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O/c1-13(14-6-3-2-4-7-14)20-16-10-9-15(12-19-16)21-17(22)8-5-11-18/h2-4,6-7,9-10,12-13H,5,8,11,18H2,1H3,(H,19,20)(H,21,22)/p+1/t13-/m0/s1