4-chloranyl-2-nitro-6-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[(1-propyl-4-piperidin-1-iumyl)iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]phenolate Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCC[NH+]1CCC(CC1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C15H20ClN3O3/c1-2-5-18-6-3-13(4-7-18)17-10-11-8-12(16)9-14(15(11)20)19(21)22/h8-10,13,20H,2-7H2,1H3