4-(1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O/c26-21(10-5-6-17-16-23-19-8-2-1-7-18(17)19)25-14-12-24(13-15-25)20-9-3-4-11-22-20/h1-4,7-9,11,16,23H,5-6,10,12-15H2/p+1