1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea Traditional Name: 1-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-piperonyl-thiourea Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3S/c28-21(22-13-16-6-7-19-20(12-16)27-15-26-19)23-18(17-4-2-1-3-5-17)14-24-8-10-25-11-9-24/h1-7,12,18H,8-11,13-15H2,(H2,22,23,28)/p+1/t18-/m0/s1