[(1S)-2-[(3-azanylpyridin-1-ium-4-yl)amino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(3-azanylpyridin-1-ium-4-yl)amino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(3-aminopyridin-1-ium-4-yl)amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[(3-amino-4-pyridin-1-iumyl)amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(3-aminopyridin-1-ium-4-yl)amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(3-aminopyridin-1-ium-4-yl)amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C17H26N4+2 MolecularWeight: 286.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC1=C(C=[NH+]C=C1)N)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC1=C(C=[NH+]C=C1)N)C2=CC=CC=C2

InChI

InChI=1S/C17H24N4/c1-3-21(4-2)17(14-8-6-5-7-9-14)13-20-16-10-11-19-12-15(16)18/h5-12,17H,3-4,13,18H2,1-2H3,(H,19,20)/p+2/t17-/m1/s1