(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C19H20ClN2O3S+ MolecularWeight: 391.8917

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C=CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H19ClN2O3S/c20-16-9-14(10-17-19(16)25-13-24-17)1-2-18(23)22-6-4-21(5-7-22)11-15-3-8-26-12-15/h1-3,8-10,12H,4-7,11,13H2/p+1/b2-1+