1-(1,2-dimethylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1,2-dimethylindol-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-(1,2-dimethylindol-3-yl)ethanone CAS Name: 1-(1,2-dimethyl-3-indolyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(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-(1,2-dimethylindol-3-yl)ethanone Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O/c1-20-25(22-12-6-7-13-23(22)26(20)2)24(29)19-28-17-15-27(16-18-28)14-8-11-21-9-4-3-5-10-21/h3-13H,14-19H2,1-2H3/p+1/b11-8+