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

Systemtic Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-indan-2-yl-piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-(piazthiol-5-ylmethyl)amine Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H24N4S/c1-2-5-17-12-19(11-16(17)4-1)25-9-3-6-18(14-25)22-13-15-7-8-20-21(10-15)24-26-23-20/h1-2,4-5,7-8,10,18-19,22H,3,6,9,11-14H2/p+1/t18-/m0/s1