2-[(S)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-4-methyl-phenol

Systemtic Name: 2-[(S)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-4-methyl-phenol Openeye Name: 2-[(S)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-4-methyl-phenol CAS Name: 2-[(S)-1,3-benzodioxol-5-yl(4-morpholin-4-iumyl)methyl]-4-methylphenol IUPAC Name: 2-[(S)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-4-methylphenol Traditional Name: 2-[(S)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-4-methyl-phenol Formula: C19H22NO4+ MolecularWeight: 328.38228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)O)[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C19H21NO4/c1-13-2-4-16(21)15(10-13)19(20-6-8-22-9-7-20)14-3-5-17-18(11-14)24-12-23-17/h2-5,10-11,19,21H,6-9,12H2,1H3/p+1/t19-/m0/s1