N,N-dibutyl-4-[(E)-(2-octadecyl-7,8-dihydro-6H-isoquinolin-2-ium-5-ylidene)methyl]aniline

Systemtic Name: N,N-dibutyl-4-[(E)-(2-octadecyl-7,8-dihydro-6H-isoquinolin-2-ium-5-ylidene)methyl]aniline Openeye Name: N,N-dibutyl-4-[(E)-(2-octadecyl-7,8-dihydro-6H-isoquinolin-2-ium-5-ylidene)methyl]aniline CAS Name: N,N-dibutyl-4-[(E)-(2-octadecyl-7,8-dihydro-6H-isoquinolin-2-ium-5-ylidene)methyl]aniline IUPAC Name: N,N-dibutyl-4-[(E)-(2-octadecyl-7,8-dihydro-6H-isoquinolin-2-ium-5-ylidene)methyl]aniline Traditional Name: dibutyl-[4-[(E)-(2-stearyl-7,8-dihydro-6H-isoquinolin-2-ium-5-ylidene)methyl]phenyl]amine Formula: C42H69N2+ MolecularWeight: 602.01066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC2=C(C=C1)C(=CC3=CC=C(C=C3)N(CCCC)CCCC)CCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC2=C(C=C1)/C(=C/C3=CC=C(C=C3)N(CCCC)CCCC)/CCC2

InChI

InChI=1S/C42H69N2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-43-35-31-42-39(25-24-26-40(42)37-43)36-38-27-29-41(30-28-38)44(33-8-5-2)34-9-6-3/h27-31,35-37H,4-26,32-34H2,1-3H3/q+1