(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-(2-dimethylaminoethyl)-(phenylmethyl)azanium

Systemtic Name: (6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-(2-dimethylaminoethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(6-chloro-4-oxo-chromen-3-yl)methyl]-(2-dimethylaminoethyl)ammonium CAS Name: (6-chloro-4-oxo-1-benzopyran-3-yl)methyl-(2-dimethylaminoethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-chloro-4-oxochromen-3-yl)methyl]-(2-dimethylaminoethyl)azanium Traditional Name: benzyl-[(6-chloro-4-keto-chromen-3-yl)methyl]-(2-dimethylaminoethyl)ammonium Formula: C21H24ClN2O2+ MolecularWeight: 371.88046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O2/c1-23(2)10-11-24(13-16-6-4-3-5-7-16)14-17-15-26-20-9-8-18(22)12-19(20)21(17)25/h3-9,12,15H,10-11,13-14H2,1-2H3/p+1