N-(3-indol-1-ylpropyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-indol-1-ylpropyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(3-indol-1-ylpropyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[3-(1-indolyl)propyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(3-indol-1-ylpropyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(3-indol-1-ylpropyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C23H26F3N4O+ MolecularWeight: 431.47395

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2C=CC3=CC=CC=C32)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2C=CC3=CC=CC=C32)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H25F3N4O/c24-23(25,26)19-6-7-21(28-16-19)30-14-9-18(10-15-30)22(31)27-11-3-12-29-13-8-17-4-1-2-5-20(17)29/h1-2,4-8,13,16,18H,3,9-12,14-15H2,(H,27,31)/p+1