(2R)-N-(4-nitrophenyl)-2-[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-nitrophenyl)-2-[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(4-nitrophenyl)-2-[4-(3-thienylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(4-nitrophenyl)-2-[4-(3-thiophenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(4-nitrophenyl)-2-[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(4-nitrophenyl)-2-[4-(3-thenyl)piperazine-1,4-diium-1-yl]propionamide Formula: C18H24N4O3S+2 MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C18H22N4O3S/c1-14(18(23)19-16-2-4-17(5-3-16)22(24)25)21-9-7-20(8-10-21)12-15-6-11-26-13-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,19,23)/p+2/t14-/m1/s1