1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-(2,4,6-trimethylphenyl)thiourea

Systemtic Name: 1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 1-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)-3-mesityl-thiourea Formula: C23H40N3S+ MolecularWeight: 390.6488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)N(CCC(C)C)C2CC[NH+](CC2)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)N(CCC(C)C)C2CC[NH+](CC2)C(C)C)C

InChI

InChI=1S/C23H39N3S/c1-16(2)8-13-26(21-9-11-25(12-10-21)17(3)4)23(27)24-22-19(6)14-18(5)15-20(22)7/h14-17,21H,8-13H2,1-7H3,(H,24,27)/p+1