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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(4-chlorobenzyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C13H20ClN4S+ MolecularWeight: 299.8427

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H19ClN4S/c1-17-6-8-18(9-7-17)16-13(19)15-10-11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3,(H2,15,16,19)/p+1