3-chloranyl-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-1-ium

Systemtic Name: 3-chloranyl-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-1-ium Openeye Name: 3-chloro-2-(4-pyrrol-1-yl-1-piperidyl)-5-(trifluoromethyl)pyridin-1-ium CAS Name: 3-chloro-2-[4-(1-pyrrolyl)-1-piperidinyl]-5-(trifluoromethyl)pyridin-1-ium IUPAC Name: 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-1-ium Traditional Name: 3-chloro-2-(4-pyrrol-1-ylpiperidino)-5-(trifluoromethyl)pyridin-1-ium Formula: C15H16ClF3N3+ MolecularWeight: 330.75585

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=CC=C2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1N2C=CC=C2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C15H15ClF3N3/c16-13-9-11(15(17,18)19)10-20-14(13)22-7-3-12(4-8-22)21-5-1-2-6-21/h1-2,5-6,9-10,12H,3-4,7-8H2/p+1