[3-isoquinolin-1-yl-2,2-dimethyl-3-(phenylcarbonyloxy)propyl]-trimethyl-azanium

Systemtic Name: [3-isoquinolin-1-yl-2,2-dimethyl-3-(phenylcarbonyloxy)propyl]-trimethyl-azanium Openeye Name: [3-benzoyloxy-3-(1-isoquinolyl)-2,2-dimethyl-propyl]-trimethyl-ammonium CAS Name: [3-benzoyloxy-3-(1-isoquinolinyl)-2,2-dimethylpropyl]-trimethylammonium IUPAC Name: (3-benzoyloxy-3-isoquinolin-1-yl-2,2-dimethylpropyl)-trimethylazanium Traditional Name: [3-benzoyloxy-3-(1-isoquinolyl)-2,2-dimethyl-propyl]-trimethyl-ammonium Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[N+](C)(C)C)C(C1=NC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C[N+](C)(C)C)C(C1=NC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H29N2O2/c1-24(2,17-26(3,4)5)22(28-23(27)19-12-7-6-8-13-19)21-20-14-10-9-11-18(20)15-16-25-21/h6-16,22H,17H2,1-5H3/q+1