2-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-1H-indole

Systemtic Name: 2-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-1H-indole Openeye Name: 2-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-1H-indole CAS Name: 2-tert-butyl-7-(4-methyl-1-piperazin-4-iumyl)-4-nitro-1H-indole IUPAC Name: 2-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-1H-indole Traditional Name: 2-tert-butyl-7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-1H-indole Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=CC(=C2N1)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=CC(=C2N1)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O2/c1-17(2,3)15-11-12-13(21(22)23)5-6-14(16(12)18-15)20-9-7-19(4)8-10-20/h5-6,11,18H,7-10H2,1-4H3/p+1