N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N'-cycloheptyl-ethanediamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N'-cycloheptyl-ethanediamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N'-cycloheptyl-oxamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-N'-cycloheptyloxamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-N'-cycloheptyloxamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N'-cycloheptyl-oxamide Formula: C22H32N3O5+ MolecularWeight: 418.50658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C22H31N3O5/c26-21(22(27)24-17-5-3-1-2-4-6-17)23-14-18(25-9-11-28-12-10-25)16-7-8-19-20(13-16)30-15-29-19/h7-8,13,17-18H,1-6,9-12,14-15H2,(H,23,26)(H,24,27)/p+1/t18-/m0/s1