(2S)-N-(4-nitrophenyl)-4-oxidanylidene-2-piperidin-1-ium-1-yl-4-piperidin-1-yl-butanamide

Systemtic Name: (2S)-N-(4-nitrophenyl)-4-oxidanylidene-2-piperidin-1-ium-1-yl-4-piperidin-1-yl-butanamide Openeye Name: (2S)-N-(4-nitrophenyl)-4-oxo-2-piperidin-1-ium-1-yl-4-(1-piperidyl)butanamide CAS Name: (2S)-N-(4-nitrophenyl)-4-oxo-2-(1-piperidin-1-iumyl)-4-(1-piperidinyl)butanamide IUPAC Name: (2S)-N-(4-nitrophenyl)-4-oxo-2-piperidin-1-ium-1-yl-4-piperidin-1-ylbutanamide Traditional Name: (2S)-4-keto-N-(4-nitrophenyl)-2-piperidin-1-ium-1-yl-4-piperidino-butyramide Formula: C20H29N4O4+ MolecularWeight: 389.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CC(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4/c25-19(23-13-5-2-6-14-23)15-18(22-11-3-1-4-12-22)20(26)21-16-7-9-17(10-8-16)24(27)28/h7-10,18H,1-6,11-15H2,(H,21,26)/p+1/t18-/m0/s1