(3S)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-3-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (3S)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-3-piperidin-1-ium-1-yl-butanoate Openeye Name: (3S)-4-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-4-oxo-3-piperidin-1-ium-1-yl-butanoate CAS Name: (3S)-4-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-4-oxo-3-(1-piperidin-1-iumyl)butanoate IUPAC Name: (3S)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxo-3-piperidin-1-ium-1-ylbutanoate Traditional Name: (3S)-4-keto-4-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-3-piperidin-1-ium-1-yl-butyrate Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(CC(=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](CC(=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C19H23N3O4S/c1-26-14-7-5-13(6-8-14)15-12-27-19(20-15)21-18(25)16(11-17(23)24)22-9-3-2-4-10-22/h5-8,12,16H,2-4,9-11H2,1H3,(H,23,24)(H,20,21,25)/t16-/m0/s1