9-methyl-N-phenylmethoxy-7-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]purin-9-ium-6-amine

Systemtic Name: 9-methyl-N-phenylmethoxy-7-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]purin-9-ium-6-amine Openeye Name: N-benzyloxy-9-methyl-7-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]purin-9-ium-6-amine CAS Name: 9-methyl-N-phenylmethoxy-7-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-6-purin-9-iumamine IUPAC Name: 9-methyl-N-phenylmethoxy-7-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]purin-9-ium-6-amine Traditional Name: benzoxy-[9-methyl-7-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]purin-9-ium-6-yl]amine Formula: C33H52N5O+ MolecularWeight: 534.79888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(=CCN1C=[N+](C2=C1C(=NC=N2)NOCC3=CC=CC=C3)C)C

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CN1C=[N+](C2=C1C(=NC=N2)NOCC3=CC=CC=C3)C)/C

InChI

InChI=1S/C33H52N5O/c1-26(2)13-10-14-27(3)15-11-16-28(4)17-12-18-29(5)21-22-38-25-37(6)33-31(38)32(34-24-35-33)36-39-23-30-19-8-7-9-20-30/h7-9,19-21,24-28H,10-18,22-23H2,1-6H3,(H,34,35,36)/q+1/b29-21+