1-(4-methylphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-tosyl-piperazin-1-ium Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CN3C

InChI

InChI=1S/C17H23N3O2S/c1-15-5-7-17(8-6-15)23(21,22)20-12-10-19(11-13-20)14-16-4-3-9-18(16)2/h3-9H,10-14H2,1-2H3/p+1