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

Systemtic Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(3-methoxyphenyl)pyrrolidin-2-one Openeye Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one CAS Name: (4S)-4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-(3-methoxyphenyl)-2-pyrrolidinone IUPAC Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one Traditional Name: (4S)-1-(3-methoxyphenyl)-4-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-pyrrolidone Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O5/c1-30-20-4-2-3-19(13-20)27-15-18(12-23(27)28)24(29)26-9-7-25(8-10-26)14-17-5-6-21-22(11-17)32-16-31-21/h2-6,11,13,18H,7-10,12,14-16H2,1H3/p+1/t18-/m0/s1