1-(4-ethoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-ethoxyphenyl)thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-p-phenetyl-thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-2-25-20-10-8-18(9-11-20)22-21(26)23-19-12-14-24(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H2,22,23,26)/p+1