4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-nitro-chromen-2-one Openeye Name: 4-[[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]amino]-3-nitro-chromen-2-one CAS Name: 4-[[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-3-nitrochromen-2-one Traditional Name: 4-[[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]amino]-3-nitro-coumarin Formula: C22H24N3O5+ MolecularWeight: 410.44306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-15-6-8-16(9-7-15)18(14-24-10-12-29-13-11-24)23-20-17-4-2-3-5-19(17)30-22(26)21(20)25(27)28/h2-9,18,23H,10-14H2,1H3/p+1/t18-/m0/s1