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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]ammonium Formula: C26H34N2O2+2 MolecularWeight: 406.56036

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O2/c1-18(2)23-15-24-21(14-26(29)30-25(24)13-19(23)3)16-27-22-9-11-28(12-10-22)17-20-7-5-4-6-8-20/h4-8,13-15,18,22,27H,9-12,16-17H2,1-3H3/p+2