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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-morpholin-4-iumylmethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiourea Traditional Name: 1-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-piperonyl-thiourea Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O3S/c27-20(21-12-16-3-6-18-19(11-16)26-14-25-18)22-17-4-1-15(2-5-17)13-23-7-9-24-10-8-23/h1-6,11H,7-10,12-14H2,(H2,21,22,27)/p+1