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

Systemtic Name: 1-(3-methylbutyl)-3-(2-methylphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)-3-(o-tolyl)thiourea CAS Name: 1-(3-methylbutyl)-3-(2-methylphenyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-methylbutyl)-3-(2-methylphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)-3-(o-tolyl)thiourea Formula: C21H36N3S+ MolecularWeight: 362.59564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CCC(C)C)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CCC(C)C)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C21H35N3S/c1-16(2)10-15-24(19-11-13-23(14-12-19)17(3)4)21(25)22-20-9-7-6-8-18(20)5/h6-9,16-17,19H,10-15H2,1-5H3,(H,22,25)/p+1