1-[[5-chloranyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[5-chloranyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-chloro-2,3-dioxo-indolin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-2,3-dioxo-1-indolyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-chloro-2,3-dioxoindol-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-chloro-2,3-diketo-indolin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O

InChI

InChI=1S/C21H20ClN3O3/c22-15-6-7-18-17(12-15)19(26)21(28)25(18)13-24-10-8-14(9-11-24)20(27)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,27)/p+1