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

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

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

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