(2R)-N-(4-bromophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]propionamide Formula: C18H24BrN3OS+2 MolecularWeight: 410.37166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H22BrN3OS/c1-14(18(23)20-16-6-4-15(19)5-7-16)22-10-8-21(9-11-22)13-17-3-2-12-24-17/h2-7,12,14H,8-11,13H2,1H3,(H,20,23)/p+2/t14-/m1/s1