(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-yl]amine Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3)OC

InChI

InChI=1S/C20H24N4O2S/c1-25-19-8-6-15(11-20(19)26-2)21-16-4-3-9-24(13-16)12-14-5-7-17-18(10-14)23-27-22-17/h5-8,10-11,16,21H,3-4,9,12-13H2,1-2H3/p+1/t16-/m0/s1