7-[4-(1-hydroxyethyl)-3-nitro-phenoxy]-N-(1-methylpiperazin-1-ium-1-yl)heptanamide

Systemtic Name: 7-[4-(1-hydroxyethyl)-3-nitro-phenoxy]-N-(1-methylpiperazin-1-ium-1-yl)heptanamide Openeye Name: 7-[4-(1-hydroxyethyl)-3-nitro-phenoxy]-N-(1-methylpiperazin-1-ium-1-yl)heptanamide CAS Name: 7-[4-(1-hydroxyethyl)-3-nitrophenoxy]-N-(1-methyl-1-piperazin-1-iumyl)heptanamide IUPAC Name: 7-[4-(1-hydroxyethyl)-3-nitrophenoxy]-N-(1-methylpiperazin-1-ium-1-yl)heptanamide Traditional Name: 7-[4-(1-hydroxyethyl)-3-nitro-phenoxy]-N-(1-methylpiperazin-1-ium-1-yl)enanthamide Formula: C20H33N4O5+ MolecularWeight: 409.49982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O5/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/h8-9,15-16,21,25H,3-7,10-14H2,1-2H3/p+1