(2S)-N-(2-nitrophenyl)-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-nitrophenyl)-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-2-[4-(2-anilino-2-oxo-ethyl)piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: (2S)-2-[4-(2-anilino-2-oxoethyl)-1-piperazine-1,4-diiumyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(2-anilino-2-oxoethyl)piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(2-anilino-2-keto-ethyl)piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propionamide Formula: C21H27N5O4+2 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c1-16(21(28)23-18-9-5-6-10-19(18)26(29)30)25-13-11-24(12-14-25)15-20(27)22-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,22,27)(H,23,28)/p+2/t16-/m0/s1