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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]ammonium Formula: C23H27ClN2O2+2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClN2O2/c1-16-11-22-20(13-21(16)24)18(12-23(27)28-22)14-25-19-7-9-26(10-8-19)15-17-5-3-2-4-6-17/h2-6,11-13,19,25H,7-10,14-15H2,1H3/p+2