1-[(1S)-3-oxidanylidene-1-(3-phenoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]urea

Systemtic Name: 1-[(1S)-3-oxidanylidene-1-(3-phenoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]urea Openeye Name: [(1S)-3-oxo-1-(3-phenoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]urea CAS Name: [(1S)-3-oxo-1-(3-phenoxyphenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]urea IUPAC Name: [(1S)-3-oxo-1-(3-phenoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]urea Traditional Name: [(1S)-3-keto-1-(3-phenoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]urea Formula: C25H28N5O3+ MolecularWeight: 446.52152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC(C3=CC(=CC=C3)OC4=CC=CC=C4)NC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[C@@H](C3=CC(=CC=C3)OC4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C25H27N5O3/c26-25(32)28-22(19-7-6-10-21(17-19)33-20-8-2-1-3-9-20)18-24(31)30-15-13-29(14-16-30)23-11-4-5-12-27-23/h1-12,17,22H,13-16,18H2,(H3,26,28,32)/p+1/t22-/m0/s1