(4-fluorophenyl)-(3-piperidin-1-yl-4-propyl-1-pyrimidin-2-yl-piperazin-1-ium-1-yl)methanone

Systemtic Name: (4-fluorophenyl)-(3-piperidin-1-yl-4-propyl-1-pyrimidin-2-yl-piperazin-1-ium-1-yl)methanone Openeye Name: (4-fluorophenyl)-[3-(1-piperidyl)-4-propyl-1-pyrimidin-2-yl-piperazin-1-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[3-(1-piperidinyl)-4-propyl-1-(2-pyrimidinyl)-1-piperazin-1-iumyl]methanone IUPAC Name: (4-fluorophenyl)-(3-piperidin-1-yl-4-propyl-1-pyrimidin-2-ylpiperazin-1-ium-1-yl)methanone Traditional Name: (4-fluorophenyl)-[3-piperidino-4-propyl-1-(2-pyrimidyl)piperazin-1-ium-1-yl]methanone Formula: C23H31FN5O+ MolecularWeight: 412.523543

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[N+](CC1N2CCCCC2)(C3=NC=CC=N3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1CC[N+](CC1N2CCCCC2)(C3=NC=CC=N3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H31FN5O/c1-2-13-27-16-17-29(23-25-11-6-12-26-23,18-21(27)28-14-4-3-5-15-28)22(30)19-7-9-20(24)10-8-19/h6-12,21H,2-5,13-18H2,1H3/q+1