2-(4-ethoxy-3-methoxy-phenyl)-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(4-ethoxy-3-methoxy-phenyl)-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]thiazole Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCCC3C4=CC(=CC=C4)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCC[C@H]3C4=CC(=CC=C4)OC)OC

InChI

InChI=1S/C24H28N2O3S/c1-4-29-22-11-10-18(14-23(22)28-3)24-25-19(16-30-24)15-26-12-6-9-21(26)17-7-5-8-20(13-17)27-2/h5,7-8,10-11,13-14,16,21H,4,6,9,12,15H2,1-3H3/p+1/t21-/m0/s1