1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H27ClN3S+ MolecularWeight: 388.97718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H26ClN3S/c1-16-19(22)6-5-7-20(16)24-21(26)23-14-17-8-10-18(11-9-17)15-25-12-3-2-4-13-25/h5-11H,2-4,12-15H2,1H3,(H2,23,24,26)/p+1