1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone CAS Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone Formula: C23H29N3O+2 MolecularWeight: 363.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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