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

Systemtic Name: 1-[[2,3-bis(oxidanylidene)-5-propan-2-yl-indol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-isopropyl-2,3-dioxo-indolin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,3-dioxo-5-propan-2-yl-1-indolyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-isopropyl-2,3-diketo-indolin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-16(2)18-8-9-21-20(14-18)22(28)24(30)27(21)15-26-12-10-17(11-13-26)23(29)25-19-6-4-3-5-7-19/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,25,29)/p+1