(3S)-1-(furan-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(furan-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(3-furylmethyl)-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-furanylmethyl)-N-[4-(4-thiazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(furan-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-furfuryl)-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

InChI

InChI=1S/C20H21N3O2S/c24-20(17-2-1-8-23(11-17)10-15-7-9-25-12-15)22-18-5-3-16(4-6-18)19-13-26-14-21-19/h3-7,9,12-14,17H,1-2,8,10-11H2,(H,22,24)/p+1/t17-/m0/s1