6-chloranyl-4-(dimethylaminomethyl)-3-methoxy-xanthen-9-one hydrochloride

Systemtic Name: 6-chloranyl-4-(dimethylaminomethyl)-3-methoxy-xanthen-9-one hydrochloride Openeye Name: 6-chloro-4-(dimethylaminomethyl)-3-methoxy-xanthen-9-one hydrochloride CAS Name: 6-chloro-4-(dimethylaminomethyl)-3-methoxy-9-xanthenone hydrochloride IUPAC Name: 6-chloro-4-(dimethylaminomethyl)-3-methoxyxanthen-9-one hydrochloride Traditional Name: 6-chloro-4-(dimethylaminomethyl)-3-methoxy-xanthone hydrochloride Formula: C17H17Cl2NO3 MolecularWeight: 354.22778

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=C1OC3=C(C2=O)C=CC(=C3)Cl)OC.Cl

Isomeric SMILES

CN(C)CC1=C(C=CC2=C1OC3=C(C2=O)C=CC(=C3)Cl)OC.Cl

InChI

InChI=1S/C17H16ClNO3.ClH/c1-19(2)9-13-14(21-3)7-6-12-16(20)11-5-4-10(18)8-15(11)22-17(12)13;/h4-8H,9H2,1-3H3;1H