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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-morpholin-4-iumyl)-2-phenylethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-morpholin-4-ium-4-yl-2-phenylethyl]urea Traditional Name: 1-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-3-piperonyl-urea Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4/c25-21(22-13-16-6-7-19-20(12-16)28-15-27-19)23-14-18(17-4-2-1-3-5-17)24-8-10-26-11-9-24/h1-7,12,18H,8-11,13-15H2,(H2,22,23,25)/p+1/t18-/m0/s1