1-phenethyl-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea

Systemtic Name: 1-phenethyl-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea Openeye Name: 1-phenethyl-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea CAS Name: 1-phenethyl-3-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]thiourea IUPAC Name: 1-phenethyl-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea Traditional Name: 1-phenethyl-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea Formula: C21H34N3S+ MolecularWeight: 360.57976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=S)NCCC2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=S)NCCC2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3S/c25-20(22-15-12-19-10-4-1-5-11-19)23-18-21(13-6-2-7-14-21)24-16-8-3-9-17-24/h1,4-5,10-11H,2-3,6-9,12-18H2,(H2,22,23,25)/p+1