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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(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=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

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