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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

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