3-(3-chloranyl-2-methyl-phenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea Formula: C21H35ClN3S+ MolecularWeight: 397.0407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CCC(C)C)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CCC(C)C)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C21H34ClN3S/c1-15(2)9-14-25(18-10-12-24(13-11-18)16(3)4)21(26)23-20-8-6-7-19(22)17(20)5/h6-8,15-16,18H,9-14H2,1-5H3,(H,23,26)/p+1