7-(4-ethanoyl-3-nitro-phenoxy)-N-(1-methylpiperazin-1-ium-1-yl)heptanamide

Systemtic Name: 7-(4-ethanoyl-3-nitro-phenoxy)-N-(1-methylpiperazin-1-ium-1-yl)heptanamide Openeye Name: 7-(4-acetyl-3-nitro-phenoxy)-N-(1-methylpiperazin-1-ium-1-yl)heptanamide CAS Name: 7-(4-acetyl-3-nitrophenoxy)-N-(1-methyl-1-piperazin-1-iumyl)heptanamide IUPAC Name: 7-(4-acetyl-3-nitrophenoxy)-N-(1-methylpiperazin-1-ium-1-yl)heptanamide Traditional Name: 7-(4-acetyl-3-nitro-phenoxy)-N-(1-methylpiperazin-1-ium-1-yl)enanthamide Formula: C20H31N4O5+ MolecularWeight: 407.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCCCCCCC(=O)N[N+]2(CCNCC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCCCCCCC(=O)N[N+]2(CCNCC2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O5/c1-16(25)18-9-8-17(15-19(18)23(27)28)29-14-6-4-3-5-7-20(26)22-24(2)12-10-21-11-13-24/h8-9,15,21H,3-7,10-14H2,1-2H3/p+1