[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-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-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl]ammonium CAS Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl]ammonium Formula: C26H31ClN2O5+2 MolecularWeight: 486.98774

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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)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O5/c1-16-19-12-22(27)24(31)21(25(19)34-26(32)20(16)13-23(30)33-2)14-28-18-8-10-29(11-9-18)15-17-6-4-3-5-7-17/h3-7,12,18,28,31H,8-11,13-15H2,1-2H3/p+2