[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methanone Formula: C27H29N2O2S+ MolecularWeight: 445.59636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H28N2O2S/c1-27(2,31)16-15-23-13-14-24(32-23)26(30)29-19-17-28(18-20-29)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,25,31H,17-20H2,1-2H3/p+1