1-[5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-thienyl]ethanone CAS Name: 1-[5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)thiophen-2-yl]ethanone Traditional Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-thienyl]ethanone Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2S/c1-18(27)21-12-13-22(29-21)24(28)26-16-14-25(15-17-26)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,23H,14-17H2,1H3/p+1