1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-(2,5-dimethylphenyl)thiourea Formula: C21H27ClN3S+ MolecularWeight: 388.97718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3S/c1-15-3-4-16(2)20(13-15)24-21(26)23-19-9-11-25(12-10-19)14-17-5-7-18(22)8-6-17/h3-8,13,19H,9-12,14H2,1-2H3,(H2,23,24,26)/p+1