(2-azanylpyrimidin-5-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (2-azanylpyrimidin-5-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2-aminopyrimidin-5-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (2-amino-5-pyrimidinyl)methyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2-aminopyrimidin-5-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-aminopyrimidin-5-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C20H32N6O+2 MolecularWeight: 372.50768

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CN=C(N=C3)N

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H30N6O/c1-27-11-10-25-8-4-18(5-9-25)15-26(14-17-2-6-22-7-3-17)16-19-12-23-20(21)24-13-19/h2-3,6-7,12-13,18H,4-5,8-11,14-16H2,1H3,(H2,21,23,24)/p+2