[phenyl-[(3,4,5,6-tetrabutyl-1-cyano-1H-isoquinolin-2-yl)oxy]methyl]azanium

Systemtic Name: [phenyl-[(3,4,5,6-tetrabutyl-1-cyano-1H-isoquinolin-2-yl)oxy]methyl]azanium Openeye Name: [phenyl-[(3,4,5,6-tetrabutyl-1-cyano-1H-isoquinolin-2-yl)oxy]methyl]ammonium CAS Name: [phenyl-[(3,4,5,6-tetrabutyl-1-cyano-1H-isoquinolin-2-yl)oxy]methyl]ammonium IUPAC Name: [phenyl-[(3,4,5,6-tetrabutyl-1-cyano-1H-isoquinolin-2-yl)oxy]methyl]azanium Traditional Name: [phenyl-[(3,4,5,6-tetrabutyl-1-cyano-1H-isoquinolin-2-yl)oxy]methyl]ammonium Formula: C33H48N3O+ MolecularWeight: 502.75372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C1)C(N(C(=C2CCCC)CCCC)OC(C3=CC=CC=C3)[NH3+])C#N)CCCC

Isomeric SMILES

CCCCC1=C(C2=C(C=C1)C(N(C(=C2CCCC)CCCC)OC(C3=CC=CC=C3)[NH3+])C#N)CCCC

InChI

InChI=1S/C33H47N3O/c1-5-9-16-25-22-23-29-31(24-34)36(37-33(35)26-17-14-13-15-18-26)30(21-12-8-4)28(20-11-7-3)32(29)27(25)19-10-6-2/h13-15,17-18,22-23,31,33H,5-12,16,19-21,35H2,1-4H3/p+1