1-(2,4-dimethylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2,4-dimethylphenyl)thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2,4-dimethylphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2,4-dimethylphenyl)thiourea Formula: C21H28N3S+ MolecularWeight: 354.53212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3S/c1-16-8-9-20(17(2)14-16)23-21(25)22-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H2,22,23,25)/p+1