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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3/c1-10-3-2-6-16(8-10)9-12-5-4-11(14(15)18)7-13(12)17(19)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,15,18)/p+1/t10-/m0/s1