2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole

Systemtic Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole Openeye Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]thiazole CAS Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]thiazole IUPAC Name: 2-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole Traditional Name: 2-[2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]thiazole Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=NC=CS3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=NC=CS3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H22N4O2S/c1-2-17(24(6-1)20-21-5-11-27-20)14-23-9-7-22(8-10-23)13-16-3-4-18-19(12-16)26-15-25-18/h1-6,11-12H,7-10,13-15H2/p+1