[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

Systemtic Name: [4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone Openeye Name: [4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]-thiazol-4-yl-methanone CAS Name: [4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]-(4-thiazolyl)methanone IUPAC Name: [4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone Traditional Name: [4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]-thiazol-4-yl-methanone Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C(=O)C3=CSC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C(=O)C3=CSC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H27N3OS/c25-21(20-15-26-16-22-20)24-12-8-18(9-13-24)19-7-11-23(14-19)10-6-17-4-2-1-3-5-17/h1-5,15-16,18-19H,6-14H2/p+1/t19-/m0/s1