(2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O/c1-19-24(22-12-6-7-13-23(22)26-19)25(29)20(2)28-17-15-27(16-18-28)14-8-11-21-9-4-3-5-10-21/h3-13,20,26H,14-18H2,1-2H3/p+1/b11-8+/t20-/m0/s1