2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C22H25ClN3O+ MolecularWeight: 382.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C22H24ClN3O/c1-15-7-8-17(23)13-20(15)26-11-9-25(10-12-26)14-21(27)22-16(2)24-19-6-4-3-5-18(19)22/h3-8,13,24H,9-12,14H2,1-2H3/p+1