1-[(4-methoxyphenyl)methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methoxy-2-pyrimidinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium Traditional Name: 1-(4-methoxypyrimidin-2-yl)-4-p-anisyl-1,4-diazepan-4-ium Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=CC(=N3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=CC(=N3)OC

InChI

InChI=1S/C18H24N4O2/c1-23-16-6-4-15(5-7-16)14-21-10-3-11-22(13-12-21)18-19-9-8-17(20-18)24-2/h4-9H,3,10-14H2,1-2H3/p+1