1-[[2,4,6-triethyl-3,5-bis(quinolin-1-ium-1-ylmethyl)phenyl]methyl]quinolin-1-ium

Systemtic Name: 1-[[2,4,6-triethyl-3,5-bis(quinolin-1-ium-1-ylmethyl)phenyl]methyl]quinolin-1-ium Openeye Name: 1-[[2,4,6-triethyl-3,5-bis(quinolin-1-ium-1-ylmethyl)phenyl]methyl]quinolin-1-ium CAS Name: 1-[[2,4,6-triethyl-3,5-bis(1-quinolin-1-iumylmethyl)phenyl]methyl]quinolin-1-ium IUPAC Name: 1-[[2,4,6-triethyl-3,5-bis(quinolin-1-ium-1-ylmethyl)phenyl]methyl]quinolin-1-ium Traditional Name: 1-[2,4,6-triethyl-3,5-bis(quinolin-1-ium-1-ylmethyl)benzyl]quinolin-1-ium Formula: C42H42N3+3 MolecularWeight: 588.80298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1C[N+]2=CC=CC3=CC=CC=C32)CC)C[N+]4=CC=CC5=CC=CC=C54)CC)C[N+]6=CC=CC7=CC=CC=C76

Isomeric SMILES

CCC1=C(C(=C(C(=C1C[N+]2=CC=CC3=CC=CC=C32)CC)C[N+]4=CC=CC5=CC=CC=C54)CC)C[N+]6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C42H42N3/c1-4-34-37(28-43-25-13-19-31-16-7-10-22-40(31)43)35(5-2)39(30-45-27-15-21-33-18-9-12-24-42(33)45)36(6-3)38(34)29-44-26-14-20-32-17-8-11-23-41(32)44/h7-27H,4-6,28-30H2,1-3H3/q+3