(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one CAS Name: (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one Traditional Name: (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-pyrrolidone Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@H]3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H24N4O4/c27-21-13-16(15-26(21)17-4-5-18-19(14-17)30-12-11-29-18)22(28)25-9-7-24(8-10-25)20-3-1-2-6-23-20/h1-6,14,16H,7-13,15H2/p+1/t16-/m0/s1