1-[[3-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[[4-[2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-[2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl]piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C25H37N4O3+ MolecularWeight: 441.58628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O)C

InChI

InChI=1S/C25H36N4O3/c1-19-13-20(2)16-29(15-19)24(31)18-26-9-11-27(12-10-26)25(32)22-6-3-5-21(14-22)17-28-8-4-7-23(28)30/h3,5-6,14,19-20H,4,7-13,15-18H2,1-2H3/p+1/t19-,20-/m0/s1