1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone CAS Name: 1-(5-methoxy-1,2-dimethyl-3-indolyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2/c1-20-26(23-18-22(31-3)11-12-24(23)27(20)2)25(30)19-29-16-14-28(15-17-29)13-7-10-21-8-5-4-6-9-21/h4-12,18H,13-17,19H2,1-3H3/p+1/b10-7+