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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(1-oxoisoindolin-2-yl)propanamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(1-ketoisoindolin-2-yl)propionamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H33N3O2/c27-22(13-15-26-16-18-8-5-6-12-21(18)23(26)28)24-19-9-7-14-25(17-19)20-10-3-1-2-4-11-20/h5-6,8,12,19-20H,1-4,7,9-11,13-17H2,(H,24,27)/p+1/t19-/m0/s1