5,6-dimethoxy-2-[3-[1-(phenylmethyl)pyridin-1-ium-4-yl]propyl]-2,3-dihydroinden-1-one

Systemtic Name: 5,6-dimethoxy-2-[3-[1-(phenylmethyl)pyridin-1-ium-4-yl]propyl]-2,3-dihydroinden-1-one Openeye Name: 2-[3-(1-benzylpyridin-1-ium-4-yl)propyl]-5,6-dimethoxy-indan-1-one CAS Name: 5,6-dimethoxy-2-[3-[1-(phenylmethyl)-4-pyridin-1-iumyl]propyl]-2,3-dihydroinden-1-one IUPAC Name: 2-[3-(1-benzylpyridin-1-ium-4-yl)propyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[3-(1-benzylpyridin-1-ium-4-yl)propyl]-5,6-dimethoxy-indan-1-one Formula: C26H28NO3+ MolecularWeight: 402.50542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)CCCC3=CC=[N+](C=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CCCC3=CC=[N+](C=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28NO3/c1-29-24-16-22-15-21(26(28)23(22)17-25(24)30-2)10-6-9-19-11-13-27(14-12-19)18-20-7-4-3-5-8-20/h3-5,7-8,11-14,16-17,21H,6,9-10,15,18H2,1-2H3/q+1