4-ethoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-benzamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCCC2C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCC[C@@H]2C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4/c1-3-25-17-9-8-15(13-16(17)21(23)24)18(22)19-10-6-12-20-11-5-4-7-14(20)2/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,19,22)/p+1/t14-/m0/s1