6-chloranyl-4-ethyl-2-oxidanylidene-8-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]azaniumyl]methyl]chromen-7-olate

Systemtic Name: 6-chloranyl-4-ethyl-2-oxidanylidene-8-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]azaniumyl]methyl]chromen-7-olate Openeye Name: 8-[[(1-benzylpiperidin-1-ium-4-yl)ammonio]methyl]-6-chloro-4-ethyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-ethyl-2-oxo-8-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonio]methyl]-1-benzopyran-7-olate IUPAC Name: 8-[[(1-benzylpiperidin-1-ium-4-yl)azaniumyl]methyl]-6-chloro-4-ethyl-2-oxochromen-7-olate Traditional Name: 8-[[(1-benzylpiperidin-1-ium-4-yl)ammonio]methyl]-6-chloro-4-ethyl-2-keto-chromen-7-olate Formula: C24H28ClN2O3+ MolecularWeight: 427.94372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27ClN2O3/c1-2-17-12-22(28)30-24-19(17)13-21(25)23(29)20(24)14-26-18-8-10-27(11-9-18)15-16-6-4-3-5-7-16/h3-7,12-13,18,26,29H,2,8-11,14-15H2,1H3/p+1