N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

Systemtic Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Openeye Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydrobenzofuran-5-carboxamide CAS Name: N-[[(1S)-1-cyclohex-3-enyl]methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydrobenzofuran-5-carboxamide IUPAC Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Traditional Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)coumaran-5-carboxamide Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1C[C@@H](CC=C1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H30N2O3/c25-22(20-6-7-21-19(16-20)8-13-27-21)24(17-18-4-2-1-3-5-18)10-9-23-11-14-26-15-12-23/h1-2,6-7,16,18H,3-5,8-15,17H2/p+1/t18-/m1/s1