(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C26H34N2O3+2 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C

InChI

InChI=1S/C26H32N2O3/c1-18-7-12-23-21(15-25(29)31-26(23)19(18)2)16-27-17-24(28-13-5-4-6-14-28)20-8-10-22(30-3)11-9-20/h7-12,15,24,27H,4-6,13-14,16-17H2,1-3H3/p+2/t24-/m1/s1