N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-3-(1-oxoisoindolin-2-yl)propanamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 3-(1-ketoisoindolin-2-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]propionamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)NC(=O)CCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)NC(=O)CCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H32N4O2/c1-24-12-8-19(9-13-24)25-11-4-6-18(16-25)23-21(27)10-14-26-15-17-5-2-3-7-20(17)22(26)28/h2-3,5,7,18-19H,4,6,8-16H2,1H3,(H,23,27)/p+1/t18-/m0/s1