4-(5-methoxy-2,2-dimethyl-7-pentyl-chromen-4-yl)-1-(naphthalen-2-ylmethyl)pyridin-1-ium bromide

Systemtic Name: 4-(5-methoxy-2,2-dimethyl-7-pentyl-chromen-4-yl)-1-(naphthalen-2-ylmethyl)pyridin-1-ium bromide Openeye Name: 4-(5-methoxy-2,2-dimethyl-7-pentyl-chromen-4-yl)-1-(2-naphthylmethyl)pyridin-1-ium bromide CAS Name: 4-(5-methoxy-2,2-dimethyl-7-pentyl-1-benzopyran-4-yl)-1-(2-naphthalenylmethyl)pyridin-1-ium bromide IUPAC Name: 4-(5-methoxy-2,2-dimethyl-7-pentylchromen-4-yl)-1-(naphthalen-2-ylmethyl)pyridin-1-ium bromide Traditional Name: 4-(7-amyl-5-methoxy-2,2-dimethyl-chromen-4-yl)-1-(2-naphthylmethyl)pyridin-1-ium bromide Formula: C33H36BrNO2 MolecularWeight: 558.54844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=C1)OC)C(=CC(O2)(C)C)C3=CC=[N+](C=C3)CC4=CC5=CC=CC=C5C=C4.[Br-]

Isomeric SMILES

CCCCCC1=CC2=C(C(=C1)OC)C(=CC(O2)(C)C)C3=CC=[N+](C=C3)CC4=CC5=CC=CC=C5C=C4.[Br-]

InChI

InChI=1S/C33H36NO2.BrH/c1-5-6-7-10-24-20-30(35-4)32-29(22-33(2,3)36-31(32)21-24)27-15-17-34(18-16-27)23-25-13-14-26-11-8-9-12-28(26)19-25;/h8-9,11-22H,5-7,10,23H2,1-4H3;1H/q+1;/p-1