(2-azanylpyrimidin-5-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (2-azanylpyrimidin-5-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (2-aminopyrimidin-5-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (2-amino-5-pyrimidinyl)methyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (2-aminopyrimidin-5-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (2-aminopyrimidin-5-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C18H29N5O+2 MolecularWeight: 331.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CN=C(N=C3)N

InChI

InChI=1S/C18H27N5O/c1-14-3-4-17(24-14)13-23-7-5-15(6-8-23)11-22(2)12-16-9-20-18(19)21-10-16/h3-4,9-10,15H,5-8,11-13H2,1-2H3,(H2,19,20,21)/p+2