(3-methoxyphenyl)-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-[(4-phenylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-[(4-phenyl-2-thiazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-[(4-phenylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H25N2O2S+ MolecularWeight: 393.5218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O2S/c1-27-20-11-5-9-18(13-20)23(26)19-10-6-12-25(14-19)15-22-24-21(16-28-22)17-7-3-2-4-8-17/h2-5,7-9,11,13,16,19H,6,10,12,14-15H2,1H3/p+1/t19-/m0/s1