(4-methyl-1,2,3-thiadiazol-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone

Systemtic Name: (4-methyl-1,2,3-thiadiazol-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone Openeye Name: (4-methylthiadiazol-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]methanone CAS Name: (4-methyl-5-thiadiazolyl)-[4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (4-methylthiadiazol-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone Traditional Name: (4-methylthiadiazol-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]methanone Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)N2CCC(CC2)C3CC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SN=N1)C(=O)N2CCC(CC2)[C@H]3CC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H28N4OS/c1-16-20(27-23-22-16)21(26)25-13-9-18(10-14-25)19-8-12-24(15-19)11-7-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3/p+1/t19-/m0/s1