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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O/c29-25(14-6-11-22-20-26-24-13-5-4-12-23(22)24)28-18-16-27(17-19-28)15-7-10-21-8-2-1-3-9-21/h1-5,7-10,12-13,20,26H,6,11,14-19H2/p+1/b10-7+