(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-N-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-N-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-N-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-N-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-N-phenethylpiperidin-1-ium-3-amine Traditional Name: methyl-phenethyl-[(3S)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-yl]amine Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H26N4S/c1-24(13-11-17-6-3-2-4-7-17)19-8-5-12-25(16-19)15-18-9-10-20-21(14-18)23-26-22-20/h2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3/p+1/t19-/m0/s1