[(1R)-1-(4-bromophenyl)propyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(1R)-1-(4-bromophenyl)propyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(1R)-1-(4-bromophenyl)propyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(1R)-1-(4-bromophenyl)propyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(1R)-1-(4-bromophenyl)propyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(1R)-1-(4-bromophenyl)propyl]-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C20H27BrN4O+2 MolecularWeight: 419.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H25BrN4O/c1-2-18(16-6-8-17(21)9-7-16)23-15-20(26)25-13-11-24(12-14-25)19-5-3-4-10-22-19/h3-10,18,23H,2,11-15H2,1H3/p+2/t18-/m1/s1