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

Systemtic Name: 3-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H25N3O3/c1-13-12-15(7-8-16(13)20(22)23)17(21)18-9-5-11-19-10-4-3-6-14(19)2/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,18,21)/p+1/t14-/m0/s1