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

Systemtic Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-butyl-pyrrolidin-2-one Openeye Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-butyl-pyrrolidin-2-one CAS Name: (4S)-4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-butyl-2-pyrrolidinone IUPAC Name: (4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-butylpyrrolidin-2-one Traditional Name: (4S)-1-butyl-4-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-pyrrolidone Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C[C@H](CC1=O)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H29N3O4/c1-2-3-6-24-14-17(12-20(24)25)21(26)23-9-7-22(8-10-23)13-16-4-5-18-19(11-16)28-15-27-18/h4-5,11,17H,2-3,6-10,12-15H2,1H3/p+1/t17-/m0/s1