7-methoxy-3-methyl-2-(phenylmethyl)-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride

Systemtic Name: 7-methoxy-3-methyl-2-(phenylmethyl)-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride Openeye Name: 2-benzyl-7-methoxy-3-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride CAS Name: 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-1-benzopyran-4-one hydrochloride IUPAC Name: 2-benzyl-7-methoxy-3-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride Traditional Name: 2-benzyl-7-methoxy-3-methyl-8-(pyrrolidinomethyl)chromone hydrochloride Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCC3)OC)CC4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCC3)OC)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H25NO3.ClH/c1-16-21(14-17-8-4-3-5-9-17)27-23-18(22(16)25)10-11-20(26-2)19(23)15-24-12-6-7-13-24;/h3-5,8-11H,6-7,12-15H2,1-2H3;1H