3-[4-[4-(6-methoxynaphthalen-2-yl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[4-(6-methoxynaphthalen-2-yl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[4-(6-methoxy-2-naphthyl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[4-(6-methoxy-2-naphthalenyl)phenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[4-(6-methoxynaphthalen-2-yl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[4-(6-methoxy-2-naphthyl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4=CC=[N+](C=C4)CCCS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4=CC=[N+](C=C4)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C25H23NO4S/c1-30-25-10-9-23-17-22(7-8-24(23)18-25)20-5-3-19(4-6-20)21-11-14-26(15-12-21)13-2-16-31(27,28)29/h3-12,14-15,17-18H,2,13,16H2,1H3