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

Systemtic Name: 1-cyclohexyl-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-cyclohexyl-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-cyclohexyl-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-cyclohexyl-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-cyclohexyl-3-[4-(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=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3S/c24-20(22-19-7-3-1-4-8-19)21-15-17-9-11-18(12-10-17)16-23-13-5-2-6-14-23/h9-12,19H,1-8,13-16H2,(H2,21,22,24)/p+1