ethyl N-[1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-6-yl]carbamate bromide

Systemtic Name: ethyl N-[1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-6-yl]carbamate bromide Openeye Name: ethyl N-(2-benzyl-1-phenyl-3,4-dihydroisoquinolin-2-ium-6-yl)carbamate bromide CAS Name: N-[1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-6-yl]carbamic acid ethyl ester bromide IUPAC Name: ethyl N-(2-benzyl-1-phenyl-3,4-dihydroisoquinolin-2-ium-6-yl)carbamate bromide Traditional Name: N-(2-benzyl-1-phenyl-3,4-dihydroisoquinolin-2-ium-6-yl)carbamic acid ethyl ester bromide Formula: C25H25BrN2O2 MolecularWeight: 465.3822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=[N+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=[N+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H24N2O2.BrH/c1-2-29-25(28)26-22-13-14-23-21(17-22)15-16-27(18-19-9-5-3-6-10-19)24(23)20-11-7-4-8-12-20;/h3-14,17H,2,15-16,18H2,1H3;1H