1-(1,2-dimethylindol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(1,2-dimethylindol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(1,2-dimethylindol-3-yl)ethanone CAS Name: 1-(1,2-dimethyl-3-indolyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(1,2-dimethylindol-3-yl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(1,2-dimethylindol-3-yl)ethanone Formula: C23H29N3O+2 MolecularWeight: 363.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-18-23(20-10-6-7-11-21(20)24(18)2)22(27)17-26-14-12-25(13-15-26)16-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3/p+2