4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C20H23ClN3O5+ MolecularWeight: 420.86672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22ClN3O5/c1-23-9-7-15(8-10-23)22-20(25)13-3-5-18(19(11-13)28-2)29-17-6-4-14(21)12-16(17)24(26)27/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,25)/p+1