1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-p-cumenyl-thiourea Formula: C22H29ClN3S+ MolecularWeight: 403.00376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3S/c1-16(2)18-5-9-20(10-6-18)24-22(27)25-21-11-13-26(14-12-21)15-17-3-7-19(23)8-4-17/h3-10,16,21H,11-15H2,1-2H3,(H2,24,25,27)/p+1