1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(2-ethylbenzofuran-3-yl)methyl]-1-methyl-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(2-ethyl-3-benzofuranyl)methyl]-1-methyl-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-ethylbenzofuran-3-yl)methyl]-1-methyl-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H27N3O2S/c1-3-17-16(15-6-4-5-7-18(15)24-17)14-21(2)19(25)20-8-9-22-10-12-23-13-11-22/h4-7H,3,8-14H2,1-2H3,(H,20,25)/p+1