N-[(2S)-butan-2-yl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-[(5-nitro-1-indazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C18H28N6O3+2 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C18H26N6O3/c1-3-14(2)20-18(25)12-21-6-8-22(9-7-21)13-23-17-5-4-16(24(26)27)10-15(17)11-19-23/h4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,20,25)/p+2/t14-/m0/s1