(2S)-2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: (2S)-2-[4-(2-furylmethyl)piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: (2S)-2-[4-(2-furanylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(2-furfuryl)piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propionamide Formula: C18H24N4O4+2 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C18H22N4O4/c1-14(18(23)19-16-6-2-3-7-17(16)22(24)25)21-10-8-20(9-11-21)13-15-5-4-12-26-15/h2-7,12,14H,8-11,13H2,1H3,(H,19,23)/p+2/t14-/m0/s1