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

Systemtic Name: (6-chloranyl-3,4-dimethyl-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-3,4-dimethyl-2-oxo-chromen-8-yl)methyl]ammonium CAS Name: (6-chloro-7-hydroxy-3,4-dimethyl-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-3,4-dimethyl-2-oxochromen-8-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-chloro-7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl]ammonium Formula: C24H29ClN2O3+2 MolecularWeight: 428.95166

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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+2