[5-(phenylsulfanylmethyl)furan-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-(phenylsulfanylmethyl)furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(phenylsulfanylmethyl)-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-[(phenylthio)methyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(phenylsulfanylmethyl)furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-[(phenylthio)methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=C(O2)CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=C(O2)CSC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O2S/c19-16(18-10-8-17-9-11-18)15-7-6-13(20-15)12-21-14-4-2-1-3-5-14/h1-7,17H,8-12H2/p+1