1-[4-(4-chlorophenyl)-2-(1,3-oxazol-5-yl)-2,4-diphenyl-piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 1-[4-(4-chlorophenyl)-2-(1,3-oxazol-5-yl)-2,4-diphenyl-piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-(4-chlorophenyl)-2-oxazol-5-yl-2,4-diphenyl-piperazin-4-ium-1-yl]butan-1-one CAS Name: 1-[4-(4-chlorophenyl)-2-(5-oxazolyl)-2,4-diphenyl-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-(4-chlorophenyl)-2-(1,3-oxazol-5-yl)-2,4-diphenylpiperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-(4-chlorophenyl)-2-oxazol-5-yl-2,4-diphenyl-piperazin-4-ium-1-yl]butan-1-one Formula: C29H29ClN3O2+ MolecularWeight: 487.01246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC[N+](CC1(C2=CC=CC=C2)C3=CN=CO3)(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCC(=O)N1CC[N+](CC1(C2=CC=CC=C2)C3=CN=CO3)(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H29ClN3O2/c1-2-9-28(34)32-18-19-33(25-12-7-4-8-13-25,26-16-14-24(30)15-17-26)21-29(32,27-20-31-22-35-27)23-10-5-3-6-11-23/h3-8,10-17,20,22H,2,9,18-19,21H2,1H3/q+1