1-(4-ethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-p-phenetylsulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C17H23N2O3S2+ MolecularWeight: 367.50612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C17H22N2O3S2/c1-2-22-15-5-7-17(8-6-15)24(20,21)19-11-9-18(10-12-19)14-16-4-3-13-23-16/h3-8,13H,2,9-12,14H2,1H3/p+1