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

Systemtic Name: 2-tert-butyl-7-(1-methylpiperazin-1-ium-1-yl)-4-nitro-1H-indole Openeye Name: 2-tert-butyl-7-(1-methylpiperazin-1-ium-1-yl)-4-nitro-1H-indole CAS Name: 2-tert-butyl-7-(1-methyl-1-piperazin-1-iumyl)-4-nitro-1H-indole IUPAC Name: 2-tert-butyl-7-(1-methylpiperazin-1-ium-1-yl)-4-nitro-1H-indole Traditional Name: 2-tert-butyl-7-(1-methylpiperazin-1-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)[N+]3(CCNCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=CC(=C2N1)[N+]3(CCNCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N4O2/c1-17(2,3)15-11-12-13(20(22)23)5-6-14(16(12)19-15)21(4)9-7-18-8-10-21/h5-6,11,18-19H,7-10H2,1-4H3/q+1