3-(5-chloranyl-2-methyl-phenyl)-1-propan-2-yl-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-propan-2-yl-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-isopropyl-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-propan-2-yl-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-propan-2-yl-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-isopropyl-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea Formula: C19H31ClN3S+ MolecularWeight: 368.98754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30ClN3S/c1-13(2)22-10-8-17(9-11-22)23(14(3)4)19(24)21-18-12-16(20)7-6-15(18)5/h6-7,12-14,17H,8-11H2,1-5H3,(H,21,24)/p+1