1-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-methyl-thiourea

Systemtic Name: 1-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-methyl-thiourea Openeye Name: 1-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-methyl-thiourea CAS Name: 1-[(Z)-1-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]ethylideneamino]-3-methylthiourea IUPAC Name: 1-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-methylthiourea Traditional Name: 1-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-methyl-thiourea Formula: C17H27N4OS+ MolecularWeight: 335.48748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC)C1=CC(=C(C=C1)OC)C[NH+]2CCCCC2

Isomeric SMILES

C/C(=N/NC(=S)NC)/C1=CC(=C(C=C1)OC)C[NH+]2CCCCC2

InChI

InChI=1S/C17H26N4OS/c1-13(19-20-17(23)18-2)14-7-8-16(22-3)15(11-14)12-21-9-5-4-6-10-21/h7-8,11H,4-6,9-10,12H2,1-3H3,(H2,18,20,23)/p+1/b19-13-