(4-pentoxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-pentoxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-pentoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-pentoxyphenyl)-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-pentoxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-amoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C23H31N3O2/c1-2-3-4-19-28-22-7-5-21(6-8-22)23(27)26-17-15-25(16-18-26)14-11-20-9-12-24-13-10-20/h5-10,12-13H,2-4,11,14-19H2,1H3/p+1