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

Systemtic Name: 1-(3-methylphenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(m-tolyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-methylphenyl)-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(m-tolyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3S/c1-16-5-4-6-19(13-16)22-20(24)21-14-17-7-9-18(10-8-17)15-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14-15H2,1H3,(H2,21,22,24)/p+1