4-(3-methanoyl-4-nitro-phenoxy)-2-(1-methylpiperazin-1-ium-1-yl)butanamide

Systemtic Name: 4-(3-methanoyl-4-nitro-phenoxy)-2-(1-methylpiperazin-1-ium-1-yl)butanamide Openeye Name: 4-(3-formyl-4-nitro-phenoxy)-2-(1-methylpiperazin-1-ium-1-yl)butanamide CAS Name: 4-(3-formyl-4-nitrophenoxy)-2-(1-methyl-1-piperazin-1-iumyl)butanamide IUPAC Name: 4-(3-formyl-4-nitrophenoxy)-2-(1-methylpiperazin-1-ium-1-yl)butanamide Traditional Name: 4-(3-formyl-4-nitro-phenoxy)-2-(1-methylpiperazin-1-ium-1-yl)butyramide Formula: C16H23N4O5+ MolecularWeight: 351.37762

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C(CCOC2=CC(=C(C=C2)[N+](=O)[O-])C=O)C(=O)N

Isomeric SMILES

C[N+]1(CCNCC1)C(CCOC2=CC(=C(C=C2)[N+](=O)[O-])C=O)C(=O)N

InChI

InChI=1S/C16H22N4O5/c1-20(7-5-18-6-8-20)15(16(17)22)4-9-25-13-2-3-14(19(23)24)12(10-13)11-21/h2-3,10-11,15,18H,4-9H2,1H3,(H-,17,22)/p+1