1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(1-benzylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(1-benzylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(1-benzylpiperidin-1-ium-4-yl)thiourea Formula: C20H24N3O2S+ MolecularWeight: 370.48846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O2S/c26-20(22-17-6-7-18-19(12-17)25-14-24-18)21-16-8-10-23(11-9-16)13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H2,21,22,26)/p+1