(3R)-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxo-ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazinyl]-2-oxoethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxoethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazino]-2-keto-ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C25H35N5O2+2 MolecularWeight: 437.5777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O2/c1-19-16-22(17-20(2)27-19)28-12-14-30(15-13-28)24(31)18-23-25(32)26-9-11-29(23)10-8-21-6-4-3-5-7-21/h3-7,16-17,23H,8-15,18H2,1-2H3,(H,26,32)/p+2/t23-/m1/s1