[2-chloranyl-5-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-ethanoyl-hexyl-azanium

Systemtic Name: [2-chloranyl-5-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-ethanoyl-hexyl-azanium Openeye Name: acetyl-[2-chloro-5-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-hexyl-ammonium CAS Name: acetyl-[2-chloro-5-(1-hydroxyethyl)-4-nitrophenoxy]-cyclohexyl-hexylammonium IUPAC Name: acetyl-[2-chloro-5-(1-hydroxyethyl)-4-nitrophenoxy]-cyclohexyl-hexylazanium Traditional Name: acetyl-[2-chloro-5-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-hexyl-ammonium Formula: C22H34ClN2O5+ MolecularWeight: 441.96876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C1CCCCC1)(C(=O)C)OC2=C(C=C(C(=C2)C(C)O)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCC[N+](C1CCCCC1)(C(=O)C)OC2=C(C=C(C(=C2)C(C)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H34ClN2O5/c1-4-5-6-10-13-25(17(3)27,18-11-8-7-9-12-18)30-22-14-19(16(2)26)21(24(28)29)15-20(22)23/h14-16,18,26H,4-13H2,1-3H3/q+1