[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(furan-3-yl)methanone

Systemtic Name: [4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(furan-3-yl)methanone Openeye Name: [4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-furyl)methanone CAS Name: [4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-piperazin-4-iumyl]-(3-furanyl)methanone IUPAC Name: [4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(furan-3-yl)methanone Traditional Name: [4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-furyl)methanone Formula: C18H18ClN2O2S+ MolecularWeight: 361.86572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3S2)Cl)C(=O)C4=COC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3S2)Cl)C(=O)C4=COC=C4

InChI

InChI=1S/C18H17ClN2O2S/c19-17-14-3-1-2-4-15(14)24-16(17)11-20-6-8-21(9-7-20)18(22)13-5-10-23-12-13/h1-5,10,12H,6-9,11H2/p+1