1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)-1,4-diazepane

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)-1,4-diazepane Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)-1,4-diazepane CAS Name: 1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1,4-diazepane IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)-1,4-diazepane Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)-1,4-diazepane Formula: C19H26FN4O2S+ MolecularWeight: 393.498743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H25FN4O2S/c1-14(2)19-21-15(3)13-18(22-19)23-9-4-10-24(12-11-23)27(25,26)17-7-5-16(20)6-8-17/h5-8,13-14H,4,9-12H2,1-3H3/p+1