1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3S/c1-17(2)26-19(4)15-22(20(26)5)23(27)16-24-11-6-12-25(14-13-24)30(28,29)21-9-7-18(3)8-10-21/h7-10,15,17H,6,11-14,16H2,1-5H3/p+1