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

Systemtic Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]-1-(5-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Formula: C21H22Cl2N3O+ MolecularWeight: 403.32488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O/c1-14-2-5-20-16(10-14)17(12-24-20)21(27)13-25-6-8-26(9-7-25)15-3-4-18(22)19(23)11-15/h2-5,10-12,24H,6-9,13H2,1H3/p+1