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

Systemtic Name: 2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethanone Openeye Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]ethanone IUPAC Name: 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone Formula: C25H33N3O2+2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)C2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)C2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H31N3O2/c1-4-26-12-14-27(15-13-26)18-24(29)25-19(2)28(17-20-8-6-5-7-9-20)23-11-10-21(30-3)16-22(23)25/h5-11,16H,4,12-15,17-18H2,1-3H3/p+2