4-(azepan-1-ium-1-ylmethyl)-2-(1,3-benzodioxol-5-yl)-1,3-thiazole

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-2-(1,3-benzodioxol-5-yl)-1,3-thiazole Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-2-(1,3-benzodioxol-5-yl)thiazole CAS Name: 4-(1-azepan-1-iumylmethyl)-2-(1,3-benzodioxol-5-yl)thiazole IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-2-(1,3-benzodioxol-5-yl)-1,3-thiazole Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-2-(1,3-benzodioxol-5-yl)thiazole Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N2O2S/c1-2-4-8-19(7-3-1)10-14-11-22-17(18-14)13-5-6-15-16(9-13)21-12-20-15/h5-6,9,11H,1-4,7-8,10,12H2/p+1