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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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