[2-[(2-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-oxidanylidene-pentyl-phosphanium

Systemtic Name: [2-[(2-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-oxidanylidene-pentyl-phosphanium Openeye Name: [2-[(2-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-oxo-pentyl-phosphonium CAS Name: [2-[(2-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-oxo-pentylphosphonium IUPAC Name: [2-[(2-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-oxo-pentylphosphanium Traditional Name: amyl-[2-(2-cyanobenzyl)-1-methyl-benzimidazol-5-yl]-keto-phosphonium Formula: C21H23N3OP+ MolecularWeight: 364.400581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[P+](=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=CC=C3C#N)C

Isomeric SMILES

CCCCC[P+](=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=CC=C3C#N)C

InChI

InChI=1S/C21H23N3OP/c1-3-4-7-12-26(25)18-10-11-20-19(14-18)23-21(24(20)2)13-16-8-5-6-9-17(16)15-22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3/q+1