4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzamide Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-10-5-11(2)8-17(7-10)9-13-4-3-12(15(16)19)6-14(13)18(20)21/h3-4,6,10-11H,5,7-9H2,1-2H3,(H2,16,19)/p+1/t10-,11-/m0/s1