1-(4-ethoxyphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(5-methyl-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-methyl-2-furyl)methyl]-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C18H25N2O4S+ MolecularWeight: 365.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C

InChI

InChI=1S/C18H24N2O4S/c1-3-23-16-6-8-18(9-7-16)25(21,22)20-12-10-19(11-13-20)14-17-5-4-15(2)24-17/h4-9H,3,10-14H2,1-2H3/p+1