1H-benzimidazol-2-ylmethyl-[[4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[[4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[[4-[2-(diisopropylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[4-[2-(diisopropylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonium Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=NC3=CC=CC=C3N2)OCC(=O)N(C(C)C)C(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=NC3=CC=CC=C3N2)OCC(=O)N(C(C)C)C(C)C

InChI

InChI=1S/C25H34N4O3/c1-6-31-23-13-19(14-26-15-24-27-20-9-7-8-10-21(20)28-24)11-12-22(23)32-16-25(30)29(17(2)3)18(4)5/h7-13,17-18,26H,6,14-16H2,1-5H3,(H,27,28)/p+1