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but-2-ynyl-methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynyl-azanium

but-2-ynyl-methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynyl-azanium

Systemtic Name:but-2-ynyl-methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynyl-azanium
Openeye Name:[2-benzyloxy-1-(4-benzyloxyphenyl)ethyl]-but-2-ynyl-methyl-prop-2-ynyl-ammonium
CAS Name:but-2-ynyl-methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynylammonium
IUPAC Name:but-2-ynyl-methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynylazanium
Traditional Name:[2-benzoxy-1-(4-benzoxyphenyl)ethyl]-but-2-ynyl-methyl-propargyl-ammonium
Formula: C30H32NO2+
MolecularWeight: 438.58058
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Descriptors Computed from Structure

Canonical SMILES:

CC#CC[N+](C)(CC#C)C(COCC1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3


Isomeric SMILES

CC#CC[N+](C)(CC#C)C(COCC1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3


InChI

InChI=1S/C30H32NO2/c1-4-6-22-31(3,21-5-2)30(25-32-23-26-13-9-7-10-14-26)28-17-19-29(20-18-28)33-24-27-15-11-8-12-16-27/h2,7-20,30H,21-25H2,1,3H3/q+1


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