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

Systemtic Name: 3-phenyl-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-phenyl-thiourea CAS Name: 3-phenyl-1-(phenylmethyl)-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]thiourea IUPAC Name: 1-benzyl-1-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-phenylthiourea Traditional Name: 1-benzyl-1-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-phenyl-thiourea Formula: C27H32N3S+ MolecularWeight: 430.62808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CN(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CN(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3S/c31-27(28-26-14-8-3-9-15-26)30(21-24-12-6-2-7-13-24)22-25-16-18-29(19-17-25)20-23-10-4-1-5-11-23/h1-15,25H,16-22H2,(H,28,31)/p+1