N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-(4-cyclohexylphenyl)thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-(4-cyclohexylphenyl)-2-thiazolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[4-(4-cyclohexylphenyl)thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C22H29N3OS/c26-21(15-25-13-5-2-6-14-25)24-22-23-20(16-27-22)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h9-12,16-17H,1-8,13-15H2,(H,23,24,26)/p+1