3-butoxypropyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 3-butoxypropyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: 3-butoxypropyl-[[1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: 3-butoxypropyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC=CN1C2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC=CN1C2=NC(=CC(=N2)C)C

InChI

InChI=1S/C18H28N4O/c1-4-5-11-23-12-7-9-19-14-17-8-6-10-22(17)18-20-15(2)13-16(3)21-18/h6,8,10,13,19H,4-5,7,9,11-12,14H2,1-3H3/p+1