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

Systemtic Name: 1-(4-propan-2-ylphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-propan-2-ylphenyl)-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-propan-2-ylphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-p-cumenyl-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H29N3S/c1-17(2)18-9-11-21(12-10-18)24-22(26)23-15-19-7-3-4-8-20(19)16-25-13-5-6-14-25/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H2,23,24,26)/p+1