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

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-(1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Formula: C20H24N4O+2 MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N4O/c1-15(20(25)17-14-22-18-7-3-2-6-16(17)18)23-10-12-24(13-11-23)19-8-4-5-9-21-19/h2-9,14-15,22H,10-13H2,1H3/p+2/t15-/m1/s1