2-(3-azanyl-3-methyl-pentyl)-1-octadecyl-benzimidazole-5-sulfonate

Systemtic Name: 2-(3-azanyl-3-methyl-pentyl)-1-octadecyl-benzimidazole-5-sulfonate Openeye Name: 2-(3-amino-3-methyl-pentyl)-1-octadecyl-benzimidazole-5-sulfonate CAS Name: 2-(3-amino-3-methylpentyl)-1-octadecyl-5-benzimidazolesulfonate IUPAC Name: 2-(3-amino-3-methylpentyl)-1-octadecylbenzimidazole-5-sulfonate Traditional Name: 2-(3-amino-3-methyl-pentyl)-1-stearyl-benzimidazole-5-sulfonate Formula: C31H54N3O3S- MolecularWeight: 548.84376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])N=C1CCC(C)(CC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])N=C1CCC(C)(CC)N

InChI

InChI=1S/C31H55N3O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-29-22-21-27(38(35,36)37)26-28(29)33-30(34)23-24-31(3,32)5-2/h21-22,26H,4-20,23-25,32H2,1-3H3,(H,35,36,37)/p-1