(4R)-1-(4-bromanyl-3-methyl-phenyl)-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4R)-1-(4-bromanyl-3-methyl-phenyl)-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4R)-1-(4-bromo-3-methyl-phenyl)-4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]pyrrolidin-2-one CAS Name: (4R)-1-(4-bromo-3-methylphenyl)-4-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4R)-1-(4-bromo-3-methylphenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one Traditional Name: (4R)-1-(4-bromo-3-methyl-phenyl)-4-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]-2-pyrrolidone Formula: C23H32BrN4O3+ MolecularWeight: 492.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)Br

InChI

InChI=1S/C23H31BrN4O3/c1-17-13-19(5-6-20(17)24)28-15-18(14-21(28)29)23(31)27-11-9-25(10-12-27)16-22(30)26-7-3-2-4-8-26/h5-6,13,18H,2-4,7-12,14-16H2,1H3/p+1/t18-/m1/s1