N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]carbamothioyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]carbamothioyl]phenyl]ethanamide Openeye Name: N-[4-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamothioyl]phenyl]acetamide CAS Name: N-[4-[[[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-sulfanylidenemethyl]phenyl]acetamide IUPAC Name: N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]carbamothioyl]phenyl]acetamide Traditional Name: N-[4-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiocarbamoyl]phenyl]acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=S)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=S)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C20H25N3O2S/c1-15(24)22-17-9-7-16(8-10-17)20(26)21-14-18(19-6-5-13-25-19)23-11-3-2-4-12-23/h5-10,13,18H,2-4,11-12,14H2,1H3,(H,21,26)(H,22,24)/p+1/t18-/m1/s1