2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 1-(1H-pyrrol-2-yl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)C3=CC=CN3

InChI

InChI=1S/C18H23N3O3S/c1-15-5-7-16(8-6-15)25(23,24)21-11-3-10-20(12-13-21)14-18(22)17-4-2-9-19-17/h2,4-9,19H,3,10-14H2,1H3/p+1