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

Systemtic Name: 3-cyclopentyl-1-(phenylmethyl)-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]thiourea Openeye Name: 1-benzyl-1-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-cyclopentyl-thiourea CAS Name: 3-cyclopentyl-1-(phenylmethyl)-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]thiourea IUPAC Name: 1-benzyl-1-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-cyclopentylthiourea Traditional Name: 1-benzyl-1-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-cyclopentyl-thiourea Formula: C26H36N3S+ MolecularWeight: 422.64914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N(CC2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=S)N(CC2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3S/c30-26(27-25-13-7-8-14-25)29(20-23-11-5-2-6-12-23)21-24-15-17-28(18-16-24)19-22-9-3-1-4-10-22/h1-6,9-12,24-25H,7-8,13-21H2,(H,27,30)/p+1