6-chloranyl-3,4-dimethyl-2-oxidanylidene-8-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]azaniumyl]methyl]chromen-7-olate

Systemtic Name: 6-chloranyl-3,4-dimethyl-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-3,4-dimethyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-3,4-dimethyl-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-3,4-dimethyl-2-oxochromen-7-olate Traditional Name: 8-[[(1-benzylpiperidin-1-ium-4-yl)ammonio]methyl]-6-chloro-2-keto-3,4-dimethyl-chromen-7-olate Formula: C24H28ClN2O3+ MolecularWeight: 427.94372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

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