(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(3-chloro-6-methyl-benzothiophen-2-yl)methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(3-chloro-6-methyl-benzothiophen-2-yl)methanone Formula: C17H20ClN2OS+ MolecularWeight: 335.8715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CC[NH+](CC3)CC=C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CC[NH+](CC3)CC=C)Cl

InChI

InChI=1S/C17H19ClN2OS/c1-3-6-19-7-9-20(10-8-19)17(21)16-15(18)13-5-4-12(2)11-14(13)22-16/h3-5,11H,1,6-10H2,2H3/p+1