(3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-indan-2-yl-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-methyl-(piazthiol-5-ylmethyl)amine Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NSN=C2C=C1)C3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

CN(CC1=CC2=NSN=C2C=C1)[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C22H26N4S/c1-25(14-16-8-9-21-22(11-16)24-27-23-21)19-7-4-10-26(15-19)20-12-17-5-2-3-6-18(17)13-20/h2-3,5-6,8-9,11,19-20H,4,7,10,12-15H2,1H3/p+1/t19-/m0/s1