1-(2,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(3-thenyl)piperazin-4-ium Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C17H22N2S/c1-14-3-4-15(2)17(11-14)19-8-6-18(7-9-19)12-16-5-10-20-13-16/h3-5,10-11,13H,6-9,12H2,1-2H3/p+1