6-[(S)-[4-(diethylamino)phenyl]-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(S)-[4-(diethylamino)phenyl]-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-[4-(diethylamino)phenyl]-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-[4-(diethylamino)phenyl]-(4-morpholin-4-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-[4-(diethylamino)phenyl]-morpholin-4-ium-4-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-[4-(diethylamino)phenyl]-morpholin-4-ium-4-yl-methyl]sesamol Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCOCC4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@@H](C2=CC3=C(C=C2O)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C22H28N2O4/c1-3-23(4-2)17-7-5-16(6-8-17)22(24-9-11-26-12-10-24)18-13-20-21(14-19(18)25)28-15-27-20/h5-8,13-14,22,25H,3-4,9-12,15H2,1-2H3/p+1/t22-/m0/s1