2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]ethanamide

Systemtic Name: 2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]ethanamide Openeye Name: 2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methyleneamino]acetamide CAS Name: 2-(1-piperidin-1-iumyl)-N-[(Z)-[4-(3-thietanyloxy)phenyl]methylideneamino]acetamide IUPAC Name: 2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide Traditional Name: 2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)benzylidene]amino]acetamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NN=CC2=CC=C(C=C2)OC3CSC3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N/N=C\C2=CC=C(C=C2)OC3CSC3

InChI

InChI=1S/C17H23N3O2S/c21-17(11-20-8-2-1-3-9-20)19-18-10-14-4-6-15(7-5-14)22-16-12-23-13-16/h4-7,10,16H,1-3,8-9,11-13H2,(H,19,21)/p+1/b18-10-