2-[3-[1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[1-[(2-amino-5-pyrimidinyl)methyl]-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium Formula: C17H32N6O+2 MolecularWeight: 336.47558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CN=C(N=C2)N

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CN=C(N=C2)N

InChI

InChI=1S/C17H30N6O/c1-22(2)10-7-19-16(24)4-3-14-5-8-23(9-6-14)13-15-11-20-17(18)21-12-15/h11-12,14H,3-10,13H2,1-2H3,(H,19,24)(H2,18,20,21)/p+2