4-[8-(dibutylamino)benzo[f]isoquinolin-3-ium-3-yl]butane-1-sulfonate

Systemtic Name: 4-[8-(dibutylamino)benzo[f]isoquinolin-3-ium-3-yl]butane-1-sulfonate Openeye Name: 4-[8-(dibutylamino)benzo[f]isoquinolin-3-ium-3-yl]butane-1-sulfonate CAS Name: 4-[8-(dibutylamino)-3-benzo[f]isoquinolin-3-iumyl]-1-butanesulfonate IUPAC Name: 4-[8-(dibutylamino)benzo[f]isoquinolin-3-ium-3-yl]butane-1-sulfonate Traditional Name: 4-[8-(dibutylamino)benz[f]isoquinolin-3-ium-3-yl]butane-1-sulfonate Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C3=C(C=C2)C=[N+](C=C3)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C3=C(C=C2)C=[N+](C=C3)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C25H34N2O3S/c1-3-5-15-27(16-6-4-2)23-11-12-24-21(19-23)9-10-22-20-26(17-13-25(22)24)14-7-8-18-31(28,29)30/h9-13,17,19-20H,3-8,14-16,18H2,1-2H3