(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C20H30N2O3+2 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC[NH+]3CCOCC3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC[NH+]3CCOCC3)C(C)C

InChI

InChI=1S/C20H28N2O3/c1-14(2)17-12-18-16(11-20(23)25-19(18)10-15(17)3)13-21-4-5-22-6-8-24-9-7-22/h10-12,14,21H,4-9,13H2,1-3H3/p+2