5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

Systemtic Name: 5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine Openeye Name: 5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-thiazol-2-amine CAS Name: 5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]methyl]-N,N-dimethyl-2-thiazolamine IUPAC Name: 5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine Traditional Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]thiazol-2-yl]-dimethyl-amine Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(S1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)C1=NC=C(S1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H24N4O2S/c1-21(2)18-19-9-15(25-18)11-22-7-3-4-14(10-22)20-13-5-6-16-17(8-13)24-12-23-16/h5-6,8-9,14,20H,3-4,7,10-12H2,1-2H3/p+1/t14-/m0/s1