3-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C(=O)OC(=N4)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C(=O)OC(=N4)C5=CC=CS5

InChI

InChI=1S/C26H26N4O3S/c31-23(13-14-30-26(32)33-25(27-30)22-12-7-19-34-22)28-15-17-29(18-16-28)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,19,24H,13-18H2/p+1