1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-methylphenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(p-tolyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-(p-tolyl)thiourea Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3S/c1-15-2-8-18(9-3-15)22-20(25)23-19-10-12-24(13-11-19)14-16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3,(H2,22,23,25)/p+1