4-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitro-benzamide Openeye Name: 4-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitro-benzamide Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3/c1-10-4-6-16(7-5-10)9-12-3-2-11(14(15)18)8-13(12)17(19)20/h2-3,8,10H,4-7,9H2,1H3,(H2,15,18)/p+1