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

Systemtic Name: 1-cyclohexyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-cyclohexyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-cyclohexyl-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-cyclohexyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-cyclohexyl-3-[4-(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=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C1CCC(CC1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H29N3S/c23-19(21-18-6-2-1-3-7-18)20-14-16-8-10-17(11-9-16)15-22-12-4-5-13-22/h8-11,18H,1-7,12-15H2,(H2,20,21,23)/p+1