1-piperidin-1-yl-2-[4-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-piperidyl)-2-[4-(3,4,5-trimethoxy-2-nitro-benzoyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-(3,4,5-trimethoxy-2-nitrobenzoyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-piperidino-2-[4-(3,4,5-trimethoxy-2-nitro-benzoyl)piperazin-1-ium-1-yl]ethanone Formula: C21H31N4O7+ MolecularWeight: 451.49344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H30N4O7/c1-30-16-13-15(18(25(28)29)20(32-3)19(16)31-2)21(27)24-11-9-22(10-12-24)14-17(26)23-7-5-4-6-8-23/h13H,4-12,14H2,1-3H3/p+1