2-(4-chlorophenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(4-chlorophenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]oxazole CAS Name: 2-(4-chlorophenyl)-5-methyl-4-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole IUPAC Name: 2-(4-chlorophenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(4-chlorophenyl)-5-methyl-4-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole Formula: C20H23ClN5O+ MolecularWeight: 384.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C[NH+]3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C[NH+]3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22ClN5O/c1-15-18(24-19(27-15)16-4-6-17(21)7-5-16)14-25-10-3-11-26(13-12-25)20-22-8-2-9-23-20/h2,4-9H,3,10-14H2,1H3/p+1