6-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]sesamol Formula: C17H20ClN2O3S+ MolecularWeight: 367.8703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C17H19ClN2O3S/c18-17-2-1-13(24-17)10-20-5-3-19(4-6-20)9-12-7-15-16(8-14(12)21)23-11-22-15/h1-2,7-8,21H,3-6,9-11H2/p+1