(2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide

Systemtic Name: (2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)propanamide CAS Name: (2S)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)propionamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H27N3O3/c1-17(25-13-15-26(16-14-25)23(28)18-7-8-18)22(27)24-19-9-11-21(12-10-19)29-20-5-3-2-4-6-20/h2-6,9-12,17-18H,7-8,13-16H2,1H3,(H,24,27)/p+1/t17-/m0/s1