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

Systemtic Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-propan-2-yl-pyrrolidin-2-one Openeye Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-isopropyl-pyrrolidin-2-one CAS Name: (4S)-4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-propan-2-yl-2-pyrrolidinone IUPAC Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one Traditional Name: (4S)-1-isopropyl-4-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-pyrrolidone Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CC1=O)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)N1C[C@H](CC1=O)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N3O4/c1-14(2)23-12-16(10-19(23)24)20(25)22-7-5-21(6-8-22)11-15-3-4-17-18(9-15)27-13-26-17/h3-4,9,14,16H,5-8,10-13H2,1-2H3/p+1/t16-/m0/s1