3-[[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one Openeye Name: 3-[[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[(3S)-3-(3,4-dimethoxyanilino)-1-piperidin-1-iumyl]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-ium-1-yl]methyl]-6-methylchromen-4-one Traditional Name: 3-[[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-ium-1-yl]methyl]-6-methyl-chromone Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCCC(C3)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC[C@@H](C3)NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H28N2O4/c1-16-6-8-21-20(11-16)24(27)17(15-30-21)13-26-10-4-5-19(14-26)25-18-7-9-22(28-2)23(12-18)29-3/h6-9,11-12,15,19,25H,4-5,10,13-14H2,1-3H3/p+1/t19-/m0/s1