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

Systemtic Name: (6-chloranyl-4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-chloro-4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methyl]ammonium CAS Name: (6-chloro-4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-chloro-4-ethyl-7-hydroxy-2-oxochromen-8-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-chloro-4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methyl]ammonium Formula: C24H29ClN2O3+2 MolecularWeight: 428.95166

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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+2