(3S)-N-[4-(furan-2-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(furan-2-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(2-furyl)phenyl]-1-(3-thienylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-furanyl)phenyl]-1-(3-thiophenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(furan-2-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(2-furyl)phenyl]-1-(3-thenyl)piperidin-1-ium-3-carboxamide Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CSC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CSC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H22N2O2S/c24-21(18-3-1-10-23(14-18)13-16-9-12-26-15-16)22-19-7-5-17(6-8-19)20-4-2-11-25-20/h2,4-9,11-12,15,18H,1,3,10,13-14H2,(H,22,24)/p+1/t18-/m0/s1