1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC#CCOC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC#CCOC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O4/c1-25-19-6-4-18(5-7-19)24-13-11-23(12-14-24)10-2-3-15-26-20-8-9-21-22(16-20)28-17-27-21/h4-9,16H,10-15,17H2,1H3/p+1