(2S)-2-[4-(1-benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(1-benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: (2S)-2-[4-(benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: (2S)-2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(1-benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(benzothiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C23H28N4O4S+2 MolecularWeight: 456.55782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+]2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+]2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O4S/c1-16(23(28)24-20-8-7-18(31-2)13-21(20)27(29)30)26-11-9-25(10-12-26)14-17-15-32-22-6-4-3-5-19(17)22/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,24,28)/p+2/t16-/m0/s1