N-[2-(2-piperidin-1-ium-1-ylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(2-piperidin-1-ium-1-ylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-(2-piperidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(2-piperidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-(2-piperidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Formula: C24H27F3N3O2+ MolecularWeight: 446.48529

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H26F3N3O2/c25-24(26,27)20-7-4-18(5-8-20)23(32)28-21-9-6-17-10-13-30(15-19(17)14-21)22(31)16-29-11-2-1-3-12-29/h4-9,14H,1-3,10-13,15-16H2,(H,28,32)/p+1