[(1S)-2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c1-3-28(4-2)23(20-11-6-5-7-12-20)17-27-25(29)16-21-18-30-24-15-14-19-10-8-9-13-22(19)26(21)24/h5-15,18,23H,3-4,16-17H2,1-2H3,(H,27,29)/p+1/t23-/m1/s1