N-(2-azanyl-3-nitro-phenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide chloride

Systemtic Name: N-(2-azanyl-3-nitro-phenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide chloride Openeye Name: N-(2-amino-3-nitro-phenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide chloride CAS Name: N-(2-amino-3-nitrophenyl)-3-[4-(dimethylamino)-1-pyridin-1-iumyl]propanamide chloride IUPAC Name: N-(2-amino-3-nitrophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide chloride Traditional Name: N-(2-amino-3-nitro-phenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propionamide chloride Formula: C16H20ClN5O3 MolecularWeight: 365.8147

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])N.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])N.[Cl-]

InChI

InChI=1S/C16H19N5O3.ClH/c1-19(2)12-6-9-20(10-7-12)11-8-15(22)18-13-4-3-5-14(16(13)17)21(23)24;/h3-7,9-10H,8,11,17H2,1-2H3;1H