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

Systemtic Name: 1-[(4-propan-2-yloxyphenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-isopropoxyphenyl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-propan-2-yloxyphenyl)methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-propan-2-yloxyphenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-isopropoxybenzyl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

InChI

InChI=1S/C25H29N3O2S/c1-18(2)30-23-8-6-19(7-9-23)15-28-12-10-20(11-13-28)25(29)27-22-5-3-4-21(14-22)24-16-31-17-26-24/h3-9,14,16-18,20H,10-13,15H2,1-2H3,(H,27,29)/p+1