1-phenethyl-3-(1-propylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-phenethyl-3-(1-propylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-phenethyl-3-(1-propylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-phenethyl-3-(1-propyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-phenethyl-3-(1-propylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-phenethyl-3-(1-propylpiperidin-1-ium-4-yl)thiourea Formula: C17H28N3S+ MolecularWeight: 306.48932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H27N3S/c1-2-12-20-13-9-16(10-14-20)19-17(21)18-11-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H2,18,19,21)/p+1