3-(2,6-dimethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2,6-dimethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-[3-(3-methyl-1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2,6-dimethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(2-thenyl)thiourea Formula: C23H34N3S2+ MolecularWeight: 416.66616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCN(CC2=CC=CS2)C(=S)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1CCC[NH+](C1)CCCN(CC2=CC=CS2)C(=S)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H33N3S2/c1-18-8-5-12-25(16-18)13-7-14-26(17-21-11-6-15-28-21)23(27)24-22-19(2)9-4-10-20(22)3/h4,6,9-11,15,18H,5,7-8,12-14,16-17H2,1-3H3,(H,24,27)/p+1