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

Systemtic Name: 1-cyclohexyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-cyclohexyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-cyclohexyl-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-cyclohexyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-cyclohexyl-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C19H30N3S+ MolecularWeight: 332.5266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

C1CCC(CC1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C19H29N3S/c23-19(21-18-10-2-1-3-11-18)20-14-16-8-4-5-9-17(16)15-22-12-6-7-13-22/h4-5,8-9,18H,1-3,6-7,10-15H2,(H2,20,21,23)/p+1