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

Systemtic Name: N-(2-azanyl-3-nitro-phenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide Openeye Name: N-(2-amino-3-nitro-phenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide CAS Name: N-(2-amino-3-nitrophenyl)-3-[4-(dimethylamino)-1-pyridin-1-iumyl]propanamide IUPAC Name: N-(2-amino-3-nitrophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide Traditional Name: N-(2-amino-3-nitro-phenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propionamide Formula: C16H20N5O3+ MolecularWeight: 330.3617

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/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/p+1