[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone CAS Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H26N2O2/c1-23(2,27)13-12-19-8-10-21(11-9-19)22(26)25-16-14-24(15-17-25)18-20-6-4-3-5-7-20/h3-11,27H,14-18H2,1-2H3/p+1