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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

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