2-(2,3-diphenylpyrrolo[1,2-a]benzimidazol-4-yl)-N,N-diethyl-ethanamine sulfate

Systemtic Name: 2-(2,3-diphenylpyrrolo[1,2-a]benzimidazol-4-yl)-N,N-diethyl-ethanamine sulfate Openeye Name: 2-(2,3-diphenylpyrrolo[1,2-a]benzimidazol-4-yl)-N,N-diethyl-ethanamine sulfate CAS Name: 2-(2,3-diphenyl-4-pyrrolo[1,2-a]benzimidazolyl)-N,N-diethylethanamine sulfate IUPAC Name: 2-(2,3-diphenylpyrrolo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine sulfate Traditional Name: 2-(2,3-diphenylpyrrolo[1,2-a]benzimidazol-4-yl)ethyl-diethyl-amine sulfate Formula: C28H29N3O4S-2 MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N3C1=C(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N3C1=C(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C28H29N3.H2O4S/c1-3-29(4-2)19-20-30-25-17-11-12-18-26(25)31-21-24(22-13-7-5-8-14-22)27(28(30)31)23-15-9-6-10-16-23;1-5(2,3)4/h5-18,21H,3-4,19-20H2,1-2H3;(H2,1,2,3,4)/p-2