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

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-methoxyphenyl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-methoxyphenyl)methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-methoxyphenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-o-anisyl-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

InChI

InChI=1S/C23H25N3O2S/c1-28-22-8-3-2-5-19(22)14-26-11-9-17(10-12-26)23(27)25-20-7-4-6-18(13-20)21-15-29-16-24-21/h2-8,13,15-17H,9-12,14H2,1H3,(H,25,27)/p+1