2-[5-(aminomethyl)-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl]ethanoate hydrochloride

Systemtic Name: 2-[5-(aminomethyl)-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl]ethanoate hydrochloride Openeye Name: 2-[5-(aminomethyl)-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl]acetate hydrochloride CAS Name: 2-[5-(aminomethyl)-3,6-dimethoxy-1,9,9-trimethyl-4-xanthenyl]acetate hydrochloride IUPAC Name: 2-[5-(aminomethyl)-3,6-dimethoxy-1,9,9-trimethylxanthen-4-yl]acetate hydrochloride Traditional Name: 2-[5-(aminomethyl)-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl]acetate hydrochloride Formula: C21H25ClNO5- MolecularWeight: 406.8799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(C3=C(O2)C(=C(C=C3)OC)CN)(C)C)CC(=O)[O-])OC.Cl

Isomeric SMILES

CC1=CC(=C(C2=C1C(C3=C(O2)C(=C(C=C3)OC)CN)(C)C)CC(=O)[O-])OC.Cl

InChI

InChI=1S/C21H25NO5.ClH/c1-11-8-16(26-5)12(9-17(23)24)20-18(11)21(2,3)14-6-7-15(25-4)13(10-22)19(14)27-20;/h6-8H,9-10,22H2,1-5H3,(H,23,24);1H/p-1