2-chloranyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-nitro-benzamide Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c1-16-7-5-10(6-8-16)17(2)14(19)12-9-11(18(20)21)3-4-13(12)15/h3-4,9-10H,5-8H2,1-2H3/p+1