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

Systemtic Name: 3-(2,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea Formula: C22H38N3S+ MolecularWeight: 376.62222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3S/c1-16(2)9-14-25(20-10-12-24(13-11-20)17(3)4)22(26)23-21-8-7-18(5)15-19(21)6/h7-8,15-17,20H,9-14H2,1-6H3,(H,23,26)/p+1