2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(2,6-dimethyl-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)C(=C(N2)C)C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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