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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-chloro-2-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=CC=C1Cl)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

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