1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone CAS Name: 1-(5-methoxy-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-(5-methoxy-1,2-dimethylindol-3-yl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone Formula: C24H31N3O2+2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-18-24(21-15-20(29-3)9-10-22(21)25(18)2)23(28)17-27-13-11-26(12-14-27)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3/p+2