(5-chloranylthiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-chloranylthiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(5-chloro-2-thienyl)methanone CAS Name: (5-chloro-2-thiophenyl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chlorothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(5-chloro-2-thienyl)methanone Formula: C12H16ClN2OS+ MolecularWeight: 271.78624

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C12H15ClN2OS/c1-2-5-14-6-8-15(9-7-14)12(16)10-3-4-11(13)17-10/h2-4H,1,5-9H2/p+1