4-[4-[(E)-2-[4-(dipentylamino)phenyl]ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[4-[(E)-2-[4-(dipentylamino)phenyl]ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[(E)-2-[4-(dipentylamino)phenyl]vinyl]quinolin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[(E)-2-[4-(dipentylamino)phenyl]ethenyl]-1-quinolin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[(E)-2-[4-(dipentylamino)phenyl]ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[(E)-2-[4-(diamylamino)phenyl]vinyl]quinolin-1-ium-1-yl]butane-1-sulfonate Formula: C31H42N2O3S MolecularWeight: 522.74178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C3=CC=CC=C23)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCN(CCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C3=CC=CC=C23)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C31H42N2O3S/c1-3-5-9-22-32(23-10-6-4-2)29-19-16-27(17-20-29)15-18-28-21-25-33(24-11-12-26-37(34,35)36)31-14-8-7-13-30(28)31/h7-8,13-21,25H,3-6,9-12,22-24,26H2,1-2H3