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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(2-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=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC=CS3

InChI

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