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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]-1-(5-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Formula: C23H28N3O+ MolecularWeight: 362.48792

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O/c1-16-5-7-21-19(12-16)20(14-24-21)23(27)15-25-8-10-26(11-9-25)22-13-17(2)4-6-18(22)3/h4-7,12-14,24H,8-11,15H2,1-3H3/p+1