2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]ethanimidate

Systemtic Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-[4-(2-methoxy-2-oxo-ethyl)thiazol-2-yl]ethanimidate CAS Name: 2-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]-N-[4-(2-methoxy-2-oxoethyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-N-[4-(2-keto-2-methoxy-ethyl)thiazol-2-yl]acetimidate Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)N=C(C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43)[O-]

Isomeric SMILES

COC(=O)CC1=CSC(=N1)N=C(C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-28-20(27)10-15-13-29-21(23-15)24-19(26)12-25-8-6-14(7-9-25)17-11-22-18-5-3-2-4-16(17)18/h2-5,11,13-14,22H,6-10,12H2,1H3,(H,23,24,26)