(3S)-1-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-(2-methyl-6-nitro-anilino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-15-7-5-11-18(25(28)29)20(15)23-19(26)14-24-12-6-8-16(13-24)21(27)22-17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,22,27)(H,23,26)/p+1/t16-/m0/s1