1-[(4-propan-2-ylphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-propan-2-ylphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-propan-2-ylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(4-isopropylbenzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C18H25N2O2S2+ MolecularWeight: 365.5333

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

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