[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone Traditional Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C24H26N2O4/c1-24(2,28)10-9-18-3-6-20(7-4-18)23(27)26-13-11-25(12-14-26)16-19-5-8-21-22(15-19)30-17-29-21/h3-8,15,28H,11-14,16-17H2,1-2H3/p+1