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

Systemtic Name: 1-(4-propylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-propylphenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(4-propylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(4-propylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-propylphenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C18H25N2O2S2+ MolecularWeight: 365.5333

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H24N2O2S2/c1-2-4-16-6-8-18(9-7-16)24(21,22)20-12-10-19(11-13-20)15-17-5-3-14-23-17/h3,5-9,14H,2,4,10-13,15H2,1H3/p+1