1-[2-[(2-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]dodecan-2-one

Systemtic Name: 1-[2-[(2-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]dodecan-2-one Openeye Name: 1-[2-[(2-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]dodecan-2-one CAS Name: 1-[2-[(2-methoxyphenoxy)methyl]-3-methyl-1-benzimidazol-3-iumyl]-2-dodecanone IUPAC Name: 1-[2-[(2-methoxyphenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]dodecan-2-one Traditional Name: 1-[2-[(2-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]dodecan-2-one Formula: C28H39N2O3+ MolecularWeight: 451.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3OC)C

Isomeric SMILES

CCCCCCCCCCC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC=C3OC)C

InChI

InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-11-16-23(31)21-30-25-18-13-12-17-24(25)29(2)28(30)22-33-27-20-15-14-19-26(27)32-3/h12-15,17-20H,4-11,16,21-22H2,1-3H3/q+1