[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-oxidanylidene-pentyl-phosphanium hydrochloride

Systemtic Name: [2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-oxidanylidene-pentyl-phosphanium hydrochloride Openeye Name: [2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-oxo-pentyl-phosphonium hydrochloride CAS Name: [2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxo-pentylphosphonium hydrochloride IUPAC Name: [2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-oxo-pentylphosphanium hydrochloride Traditional Name: [2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-amyl-keto-phosphonium hydrochloride Formula: C21H27ClN4OP+ MolecularWeight: 417.892041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[P+](=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

Isomeric SMILES

CCCCC[P+](=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

InChI

InChI=1S/C21H26N4OP.ClH/c1-3-4-5-12-27(26)17-10-11-19-18(14-17)24-20(25(19)2)13-15-6-8-16(9-7-15)21(22)23;/h6-11,14H,3-5,12-13H2,1-2H3,(H3,22,23);1H/q+1;