N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H27BrN4O+2 MolecularWeight: 419.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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