N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-2-phenyl-thiazole-5-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-methyl-2-phenyl-5-thiazolecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-2-phenyl-thiazole-5-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-16-20(28-22(24-16)17-9-4-2-5-10-17)21(26)23-15-18(19-11-8-14-27-19)25-12-6-3-7-13-25/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,23,26)/p+1/t18-/m1/s1