N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CCN(CC)[C@H](CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C19H25N3O3/c1-4-21(5-2)18(15-8-6-10-17(12-15)25-3)13-20-19(23)16-9-7-11-22(24)14-16/h6-12,14,18H,4-5,13H2,1-3H3,(H,20,23)/t18-/m1/s1