9H-fluoren-9-ylmethyl 2-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-1-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 2-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-1-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 2-(2-amino-2-oxo-1-phenyl-ethyl)-1-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate CAS Name: 2-(2-amino-2-oxo-1-phenylethyl)-1-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 2-(2-amino-2-oxo-1-phenylethyl)-1-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate Traditional Name: 2-(2-amino-2-keto-1-phenyl-ethyl)-1-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C40H45N2O5+ MolecularWeight: 633.7957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=CC(=C(C=C2CC[N+]1(C(C3=CC=CC=C3)C(=O)N)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)OC)OC

Isomeric SMILES

CCCCCCC1C2=CC(=C(C=C2CC[N+]1(C(C3=CC=CC=C3)C(=O)N)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)OC)OC

InChI

InChI=1S/C40H44N2O5/c1-4-5-6-10-21-35-33-25-37(46-3)36(45-2)24-28(33)22-23-42(35,38(39(41)43)27-15-8-7-9-16-27)40(44)47-26-34-31-19-13-11-17-29(31)30-18-12-14-20-32(30)34/h7-9,11-20,24-25,34-35,38H,4-6,10,21-23,26H2,1-3H3,(H-,41,43)/p+1