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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCC3)Cl

InChI

InChI=1S/C20H24ClN3S/c1-15-4-9-18(12-19(15)21)23-20(25)22-13-16-5-7-17(8-6-16)14-24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-14H2,1H3,(H2,22,23,25)/p+1