4-[8-(dibutylamino)naphtho[2,1-f]isoquinolin-2-ium-2-yl]butane-1-sulfonate

Systemtic Name: 4-[8-(dibutylamino)naphtho[2,1-f]isoquinolin-2-ium-2-yl]butane-1-sulfonate Openeye Name: 4-[8-(dibutylamino)naphtho[2,1-f]isoquinolin-2-ium-2-yl]butane-1-sulfonate CAS Name: 4-[8-(dibutylamino)-2-naphtho[2,1-f]isoquinolin-2-iumyl]-1-butanesulfonate IUPAC Name: 4-[8-(dibutylamino)naphtho[2,1-f]isoquinolin-2-ium-2-yl]butane-1-sulfonate Traditional Name: 4-[8-(dibutylamino)naphth[2,1-f]isoquinolin-2-ium-2-yl]butane-1-sulfonate Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C3=C(C=C2)C4=C(C=C3)C=[N+](C=C4)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C3=C(C=C2)C4=C(C=C3)C=[N+](C=C4)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C29H36N2O3S/c1-3-5-17-31(18-6-4-2)25-11-14-26-23(21-25)9-12-29-27-15-19-30(16-7-8-20-35(32,33)34)22-24(27)10-13-28(26)29/h9-15,19,21-22H,3-8,16-18,20H2,1-2H3