N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C24H25N3O2S/c28-22(18-25-24(29)21-12-7-17-30-21)26-13-15-27(16-14-26)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,23H,13-16,18H2,(H,25,29)/p+1