(3R)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-(3-phenylpropyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Formula: C24H33N5O2+2 MolecularWeight: 423.55112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O2/c30-23(29-17-15-27(16-18-29)21-8-10-25-11-9-21)19-22-24(31)26-12-14-28(22)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11,22H,4,7,12-19H2,(H,26,31)/p+2/t22-/m1/s1