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

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C18H19N2O2S+ MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H18N2O2S/c21-18(16-5-3-11-22-16)20-9-7-19(8-10-20)12-14-13-23-17-6-2-1-4-15(14)17/h1-6,11,13H,7-10,12H2/p+1