1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(4-pyridylmethyl)thiourea Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c28-20(22-7-8-23-9-11-25-12-10-23)24(14-16-3-5-21-6-4-16)17-1-2-18-19(13-17)27-15-26-18/h1-6,13H,7-12,14-15H2,(H,22,28)/p+1