1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Traditional Name: 1-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-piperonyl-thiourea Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=S)NCC2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=S)NCC2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C20H29N3O3S/c27-19(21-13-16-4-5-17-18(12-16)26-15-25-17)22-14-20(6-2-1-3-7-20)23-8-10-24-11-9-23/h4-5,12H,1-3,6-11,13-15H2,(H2,21,22,27)/p+1