1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,6-dimethyl-1H-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-(2,6-dimethyl-1H-indol-3-yl)ethanone CAS Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,6-dimethyl-1H-indol-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-(2,6-dimethyl-1H-indol-3-yl)ethanone Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O/c1-19-10-11-22-23(17-19)26-20(2)25(22)24(29)18-28-15-13-27(14-16-28)12-6-9-21-7-4-3-5-8-21/h3-11,17,26H,12-16,18H2,1-2H3/p+1/b9-6+