1-[[2-[[3-hexadecoxy-2-(2-methylpropoxy)propoxy]methyl]phenyl]methyl]quinolin-1-ium

Systemtic Name: 1-[[2-[[3-hexadecoxy-2-(2-methylpropoxy)propoxy]methyl]phenyl]methyl]quinolin-1-ium Openeye Name: 1-[[2-[(3-hexadecoxy-2-isobutoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium CAS Name: 1-[[2-[[3-hexadecoxy-2-(2-methylpropoxy)propoxy]methyl]phenyl]methyl]quinolin-1-ium IUPAC Name: 1-[[2-[[3-hexadecoxy-2-(2-methylpropoxy)propoxy]methyl]phenyl]methyl]quinolin-1-ium Traditional Name: 1-[2-[(3-cetyloxy-2-isobutoxy-propoxy)methyl]benzyl]quinolin-1-ium Formula: C40H62NO3+ MolecularWeight: 604.92518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OCC(C)C

InChI

InChI=1S/C40H62NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-42-33-39(44-31-35(2)3)34-43-32-38-25-18-17-24-37(38)30-41-28-22-26-36-23-19-20-27-40(36)41/h17-20,22-28,35,39H,4-16,21,29-34H2,1-3H3/q+1