4-[[(1S)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-[[(1S)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-[[(1S)-3-oxo-2-propyl-isoindolin-1-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: 4-[[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]amino]-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-[[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-[[(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=C(C=C3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

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

InChI

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