N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(2-benzofuranyl)ethyl]-2-(4-phenethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-19(23-17-21-9-5-6-10-22(21)29-23)25-24(28)18-27-15-13-26(14-16-27)12-11-20-7-3-2-4-8-20/h2-10,17,19H,11-16,18H2,1H3,(H,25,28)/p+1/t19-/m0/s1