[2-(diethylamino)pyridin-1-ium-3-yl]methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [2-(diethylamino)pyridin-1-ium-3-yl]methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [2-(diethylamino)pyridin-1-ium-3-yl]methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [2-(diethylamino)-3-pyridin-1-iumyl]methyl-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [2-(diethylamino)pyridin-1-ium-3-yl]methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [2-(diethylamino)pyridin-1-ium-3-yl]methyl-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C19H26N6+2 MolecularWeight: 338.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)C[NH2+]CC2=CC=CN2C3=NC=CC=N3

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)C[NH2+]CC2=CC=CN2C3=NC=CC=N3

InChI

InChI=1S/C19H24N6/c1-3-24(4-2)18-16(8-5-10-21-18)14-20-15-17-9-6-13-25(17)19-22-11-7-12-23-19/h5-13,20H,3-4,14-15H2,1-2H3/p+2