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

Systemtic Name: 3-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[(3S)-3-[methyl(phenethyl)amino]-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]chromone Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H28N2O2/c1-25(15-13-19-8-3-2-4-9-19)21-10-7-14-26(17-21)16-20-18-28-23-12-6-5-11-22(23)24(20)27/h2-6,8-9,11-12,18,21H,7,10,13-17H2,1H3/p+1/t21-/m0/s1