1-(2-methyl-1H-indol-3-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C24H29N3O3S/c1-3-6-19-9-11-20(12-10-19)31(29,30)27-15-13-26(14-16-27)17-23(28)24-18(2)25-22-8-5-4-7-21(22)24/h4-5,7-12,25H,3,6,13-17H2,1-2H3/p+1