1-[(3,6,7-trimethoxyphenanthren-9-yl)methyl]pyridin-1-ium bromide

Systemtic Name: 1-[(3,6,7-trimethoxyphenanthren-9-yl)methyl]pyridin-1-ium bromide Openeye Name: 1-[(3,6,7-trimethoxy-9-phenanthryl)methyl]pyridin-1-ium bromide CAS Name: 1-[(3,6,7-trimethoxy-9-phenanthrenyl)methyl]pyridin-1-ium bromide IUPAC Name: 1-[(3,6,7-trimethoxyphenanthren-9-yl)methyl]pyridin-1-ium bromide Traditional Name: 1-[(3,6,7-trimethoxy-9-phenanthryl)methyl]pyridin-1-ium bromide Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C3C=C(C(=CC3=C(C=C2C=C1)C[N+]4=CC=CC=C4)OC)OC.[Br-]

Isomeric SMILES

COC1=CC2=C3C=C(C(=CC3=C(C=C2C=C1)C[N+]4=CC=CC=C4)OC)OC.[Br-]

InChI

InChI=1S/C23H22NO3.BrH/c1-25-18-8-7-16-11-17(15-24-9-5-4-6-10-24)20-13-22(26-2)23(27-3)14-21(20)19(16)12-18;/h4-14H,15H2,1-3H3;1H/q+1;/p-1