1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C23H23N3O3S/c27-23(25-19-5-1-3-17(11-19)20-13-30-14-24-20)16-7-9-26(10-8-16)12-18-4-2-6-21-22(18)29-15-28-21/h1-6,11,13-14,16H,7-10,12,15H2,(H,25,27)/p+1