3-bromanyl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-bromanyl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-bromo-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-bromo-1-[4-(2-quinolin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-bromo-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-bromo-1-(4-quinolin-1-ium-2-ylpiperazino)propan-1-one Formula: C16H19BrN3O+ MolecularWeight: 349.24556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C(=O)CCBr

Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C(=O)CCBr

InChI

InChI=1S/C16H18BrN3O/c17-8-7-16(21)20-11-9-19(10-12-20)15-6-5-13-3-1-2-4-14(13)18-15/h1-6H,7-12H2/p+1