(3R)-N,N-diethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-N,N-diethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N,N-diethyl-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-N,N-diethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N,N-diethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-N,N-diethyl-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium-3-carboxamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-3-21(4-2)19(23)17-11-8-14-20(15-17)13-7-10-16-9-5-6-12-18(16)22(24)25/h5-7,9-10,12,17H,3-4,8,11,13-15H2,1-2H3/p+1/b10-7+/t17-/m1/s1