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

Systemtic Name: 1-cyclohexyl-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-cyclohexyl-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-cyclohexyl-3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-cyclohexyl-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-cyclohexyl-3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H32N3S+ MolecularWeight: 346.55318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3S/c24-20(22-19-11-3-1-4-12-19)21-15-17-9-5-6-10-18(17)16-23-13-7-2-8-14-23/h5-6,9-10,19H,1-4,7-8,11-16H2,(H2,21,22,24)/p+1