N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitro-benzamide CAS Name: N-[(3S)-1-ethyl-3-piperidin-1-iumyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitro-benzamide Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-3-17-8-4-5-11(10-17)16-15(19)13-9-12(18(20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,16,19)/p+1/t11-/m0/s1