(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-methoxy-3-dibenzofuranyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)[NH+]4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)[NH+]4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H26N4O3/c1-17(28-11-13-29(14-12-28)24-9-5-6-10-26-24)25(30)27-20-16-22-19(15-23(20)31-2)18-7-3-4-8-21(18)32-22/h3-10,15-17H,11-14H2,1-2H3,(H,27,30)/p+1/t17-/m0/s1