2-[4-[6-ethoxy-2,3-bis(hydroxymethyl)-7-methoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride

Systemtic Name: 2-[4-[6-ethoxy-2,3-bis(hydroxymethyl)-7-methoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Openeye Name: 2-[4-[6-ethoxy-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthyl]-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride CAS Name: 2-[4-[6-ethoxy-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridin-1-iumyl)-1-phthalazinone chloride IUPAC Name: 2-[4-[6-ethoxy-2,3-bis(hydroxymethyl)-7-methoxynaphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-ylphthalazin-1-one chloride Traditional Name: 2-[4-(6-ethoxy-7-methoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Formula: C33H29ClN4O5 MolecularWeight: 597.06016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=C[NH+]=CC=C6)CO)CO.[Cl-]

Isomeric SMILES

CCOC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=C[NH+]=CC=C6)CO)CO.[Cl-]

InChI

InChI=1S/C33H28N4O5.ClH/c1-3-42-29-14-22-13-23(18-38)27(19-39)31(26(22)16-28(29)41-2)20-10-12-35-30(15-20)37-33(40)25-9-5-4-8-24(25)32(36-37)21-7-6-11-34-17-21;/h4-17,38-39H,3,18-19H2,1-2H3;1H