(3S)-N,N-diethyl-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(2-nitrophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(2-nitrophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-(2-nitrobenzyl)piperidin-1-ium-3-carboxamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-3-19(4-2)17(21)15-9-7-11-18(13-15)12-14-8-5-6-10-16(14)20(22)23/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3/p+1/t15-/m0/s1