3-[[(1S)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]amino]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 3-[[(1S)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]amino]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-[[(1S)-3-oxo-2-propyl-isoindolin-1-yl]amino]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 3-[[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]amino]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]amino]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-[[(1S)-3-keto-2-propyl-isoindolin-1-yl]amino]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CCCN1[C@@H](C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C24H30N4O2/c1-2-13-28-22(20-10-3-4-11-21(20)24(28)30)26-19-9-7-8-18(17-19)23(29)25-12-16-27-14-5-6-15-27/h3-4,7-11,17,22,26H,2,5-6,12-16H2,1H3,(H,25,29)/p+1/t22-/m0/s1