(4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-cyclopentyl-pyrrolidin-2-one

Systemtic Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-cyclopentyl-pyrrolidin-2-one Openeye Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-cyclopentyl-pyrrolidin-2-one CAS Name: (4S)-4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-cyclopentyl-2-pyrrolidinone IUPAC Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-cyclopentylpyrrolidin-2-one Traditional Name: (4S)-1-cyclopentyl-4-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-pyrrolidone Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H29N3O4/c26-21-12-17(14-25(21)18-3-1-2-4-18)22(27)24-9-7-23(8-10-24)13-16-5-6-19-20(11-16)29-15-28-19/h5-6,11,17-18H,1-4,7-10,12-15H2/p+1/t17-/m0/s1