5-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,2-dihydropyrrol-1-ium-3-one

Systemtic Name: 5-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)thiazol-2-yl]-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)-2-thiazolyl]-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,2-dihydropyrrol-1-ium-3-one Traditional Name: 5-amino-4-[4-(4-methoxyphenyl)thiazol-2-yl]-1-piperonyl-2-pyrrolin-1-ium-3-one Formula: C22H20N3O4S+ MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)C3=C([NH+](CC3=O)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)C3=C([NH+](CC3=O)CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C22H19N3O4S/c1-27-15-5-3-14(4-6-15)16-11-30-22(24-16)20-17(26)10-25(21(20)23)9-13-2-7-18-19(8-13)29-12-28-18/h2-8,11H,9-10,12,23H2,1H3/p+1