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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NSN=C2C=C1)C3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC2=NSN=C2C=C1)[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

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