N-cycloheptyl-3-oxidanylidene-2-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-isoindole-1-carboxamide

Systemtic Name: N-cycloheptyl-3-oxidanylidene-2-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-isoindole-1-carboxamide Openeye Name: N-cycloheptyl-3-oxo-2-(3-pyrrolidin-1-ium-1-ylpropyl)isoindoline-1-carboxamide CAS Name: N-cycloheptyl-3-oxo-2-[3-(1-pyrrolidin-1-iumyl)propyl]-1H-isoindole-1-carboxamide IUPAC Name: N-cycloheptyl-3-oxo-2-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-isoindole-1-carboxamide Traditional Name: N-cycloheptyl-3-keto-2-(3-pyrrolidin-1-ium-1-ylpropyl)isoindoline-1-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CCC[NH+]4CCCC4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CCC[NH+]4CCCC4

InChI

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