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

Systemtic Name: 3-[[(1S)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-[[(1S)-3-oxo-2-propyl-isoindolin-1-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: 3-[[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]amino]-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-[[(1S)-3-keto-2-propyl-isoindolin-1-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CCCN1[C@@H](C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C25H32N4O2/c1-2-14-29-23(21-11-4-5-12-22(21)25(29)31)27-20-10-8-9-19(18-20)24(30)26-13-17-28-15-6-3-7-16-28/h4-5,8-12,18,23,27H,2-3,6-7,13-17H2,1H3,(H,26,30)/p+1/t23-/m0/s1