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

Systemtic Name: 6-chloranyl-3-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[(3S)-3-[ethyl(4-pyridylmethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[(3S)-3-[ethyl(4-pyridylmethyl)amino]piperidin-1-ium-1-yl]methyl]chromone Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-2-27(13-17-7-9-25-10-8-17)20-4-3-11-26(15-20)14-18-16-29-22-6-5-19(24)12-21(22)23(18)28/h5-10,12,16,20H,2-4,11,13-15H2,1H3/p+1/t20-/m0/s1