(3R)-1-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[2-(4-ethylphenyl)-4-thiazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C18H23N3OS/c1-2-13-5-7-14(8-6-13)18-20-16(12-23-18)11-21-9-3-4-15(10-21)17(19)22/h5-8,12,15H,2-4,9-11H2,1H3,(H2,19,22)/p+1/t15-/m1/s1