3-(3,5-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(3,5-dimethylphenyl)-1-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(3,5-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(3,5-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(3,5-dimethylphenyl)-1-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea Formula: C22H38N3S+ MolecularWeight: 376.62222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3S/c1-16(2)7-12-25(21-8-10-24(11-9-21)17(3)4)22(26)23-20-14-18(5)13-19(6)15-20/h13-17,21H,7-12H2,1-6H3,(H,23,26)/p+1