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

Systemtic Name: 6-chloranyl-3-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[(3S)-3-[methyl(phenethyl)amino]-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]chromone Formula: C24H28ClN2O2+ MolecularWeight: 411.94432

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2O2/c1-26(13-11-18-6-3-2-4-7-18)21-8-5-12-27(16-21)15-19-17-29-23-10-9-20(25)14-22(23)24(19)28/h2-4,6-7,9-10,14,17,21H,5,8,11-13,15-16H2,1H3/p+1/t21-/m0/s1