N,N-dibutyl-4-(7,8-dihydro-6H-isoquinolin-2-ium-2-ylidenemethyl)aniline; octadecyl sulfate

Systemtic Name: N,N-dibutyl-4-(7,8-dihydro-6H-isoquinolin-2-ium-2-ylidenemethyl)aniline; octadecyl sulfate Openeye Name: N,N-dibutyl-4-(7,8-dihydro-6H-isoquinolin-2-ium-2-ylidenemethyl)aniline; octadecyl sulfate CAS Name: N,N-dibutyl-4-(7,8-dihydro-6H-isoquinolin-2-ium-2-ylidenemethyl)aniline; octadecyl sulfate IUPAC Name: N,N-dibutyl-4-(7,8-dihydro-6H-isoquinolin-2-ium-2-ylidenemethyl)aniline; octadecyl sulfate Traditional Name: dibutyl-[4-(7,8-dihydro-6H-isoquinolin-2-ium-2-ylidenemethyl)phenyl]amine; stearyl sulfate Formula: C42H70N2O4S MolecularWeight: 699.0812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCN(CCCC)C1=CC=C(C=C1)C=[N+]2C=CC3=CCCCC3=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCN(CCCC)C1=CC=C(C=C1)C=[N+]2C=CC3=CCCCC3=C2

InChI

InChI=1S/C24H33N2.C18H38O4S/c1-3-5-16-26(17-6-4-2)24-13-11-21(12-14-24)19-25-18-15-22-9-7-8-10-23(22)20-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9,11-15,18-20H,3-8,10,16-17H2,1-2H3;2-18H2,1H3,(H,19,20,21)/q+1;/p-1