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

Systemtic Name: 4-[4-[(E)-2-[2-chloranyl-4-(dipentylamino)phenyl]ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[(E)-2-[2-chloro-4-(dipentylamino)phenyl]vinyl]quinolin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[(E)-2-[2-chloro-4-(dipentylamino)phenyl]ethenyl]-1-quinolin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[(E)-2-[2-chloro-4-(dipentylamino)phenyl]ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[(E)-2-[2-chloro-4-(diamylamino)phenyl]vinyl]quinolin-1-ium-1-yl]butane-1-sulfonate Formula: C31H41ClN2O3S MolecularWeight: 557.18684

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H41ClN2O3S/c1-3-5-9-20-33(21-10-6-4-2)28-18-17-27(30(32)25-28)16-15-26-19-23-34(22-11-12-24-38(35,36)37)31-14-8-7-13-29(26)31/h7-8,13-19,23,25H,3-6,9-12,20-22,24H2,1-2H3