(3S)-1-[(5-chloranyl-2-nitro-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(5-chloranyl-2-nitro-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(5-chloro-2-nitro-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(5-chloro-2-nitrophenyl)methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(5-chloro-2-nitrophenyl)methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(5-chloro-2-nitro-benzyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C17H25ClN3O3+ MolecularWeight: 354.8517

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O3/c1-3-20(4-2)17(22)13-6-5-9-19(11-13)12-14-10-15(18)7-8-16(14)21(23)24/h7-8,10,13H,3-6,9,11-12H2,1-2H3/p+1/t13-/m0/s1