cyclododecyl-[(1S)-3-oxidanylidene-2-(phenylmethyl)-4,5,6,7-tetrahydro-1H-isoindol-1-yl]azanium

Systemtic Name: cyclododecyl-[(1S)-3-oxidanylidene-2-(phenylmethyl)-4,5,6,7-tetrahydro-1H-isoindol-1-yl]azanium Openeye Name: [(1S)-2-benzyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-cyclododecyl-ammonium CAS Name: cyclododecyl-[(1S)-3-oxo-2-(phenylmethyl)-4,5,6,7-tetrahydro-1H-isoindol-1-yl]ammonium IUPAC Name: [(1S)-2-benzyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-cyclododecylazanium Traditional Name: [(1S)-2-benzyl-3-keto-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-cyclododecyl-ammonium Formula: C27H41N2O+ MolecularWeight: 409.62724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)[NH2+]C2C3=C(CCCC3)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCCCCC(CCCCC1)[NH2+][C@@H]2C3=C(CCCC3)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C27H40N2O/c30-27-25-20-14-13-19-24(25)26(29(27)21-22-15-9-8-10-16-22)28-23-17-11-6-4-2-1-3-5-7-12-18-23/h8-10,15-16,23,26,28H,1-7,11-14,17-21H2/p+1/t26-/m0/s1