[1-(4-dimethylaminophenyl)-3-oxidanylidene-2-benzofuran-1-yl]-di(octan-4-yl)-phenyl-azanium

Systemtic Name: [1-(4-dimethylaminophenyl)-3-oxidanylidene-2-benzofuran-1-yl]-di(octan-4-yl)-phenyl-azanium Openeye Name: [1-(4-dimethylaminophenyl)-3-oxo-isobenzofuran-1-yl]-phenyl-bis(1-propylpentyl)ammonium CAS Name: [1-(4-dimethylaminophenyl)-3-oxo-1-isobenzofuranyl]-di(octan-4-yl)-phenylammonium IUPAC Name: [1-(4-dimethylaminophenyl)-3-oxo-2-benzofuran-1-yl]-di(octan-4-yl)-phenylazanium Traditional Name: [1-(4-dimethylaminophenyl)-3-keto-phthalan-1-yl]-phenyl-bis(1-propylpentyl)ammonium Formula: C38H53N2O2+ MolecularWeight: 569.83962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)[N+](C1=CC=CC=C1)(C(CCC)CCCC)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCCC(CCC)[N+](C1=CC=CC=C1)(C(CCC)CCCC)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C38H53N2O2/c1-7-11-20-32(18-9-3)40(34-22-14-13-15-23-34,33(19-10-4)21-12-8-2)38(30-26-28-31(29-27-30)39(5)6)36-25-17-16-24-35(36)37(41)42-38/h13-17,22-29,32-33H,7-12,18-21H2,1-6H3/q+1