3-(5-bromanylindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(5-bromanylindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(5-bromoindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(5-bromo-1-indolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(5-bromoindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(5-bromoindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C20H22BrN4O+ MolecularWeight: 414.31888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C=CC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C=CC4=C3C=CC(=C4)Br

InChI

InChI=1S/C20H21BrN4O/c21-17-4-5-18-16(15-17)6-9-23(18)10-7-20(26)25-13-11-24(12-14-25)19-3-1-2-8-22-19/h1-6,8-9,15H,7,10-14H2/p+1