[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: [4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C20H32N4O6+2 MolecularWeight: 424.49128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CC[NH+](CC2)CC[NH+]3CCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CC[NH+](CC2)CC[NH+]3CCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H30N4O6/c1-28-16-14-15(17(24(26)27)19(30-3)18(16)29-2)20(25)23-12-10-22(11-13-23)9-8-21-6-4-5-7-21/h14H,4-13H2,1-3H3/p+2