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

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-methylallyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-methylprop-2-enyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-methylallyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C17H26N3S+ MolecularWeight: 304.47344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NCC1=CC=C(C=C1)C[NH+]2CCCC2

Isomeric SMILES

CC(=C)CNC(=S)NCC1=CC=C(C=C1)C[NH+]2CCCC2

InChI

InChI=1S/C17H25N3S/c1-14(2)11-18-17(21)19-12-15-5-7-16(8-6-15)13-20-9-3-4-10-20/h5-8H,1,3-4,9-13H2,2H3,(H2,18,19,21)/p+1