1-[3-(1-ethyl-3-methoxy-4-phenyl-4-pyridin-4-yl-piperazin-4-ium-2-yl)phenyl]ethanone

Systemtic Name: 1-[3-(1-ethyl-3-methoxy-4-phenyl-4-pyridin-4-yl-piperazin-4-ium-2-yl)phenyl]ethanone Openeye Name: 1-[3-[1-ethyl-3-methoxy-4-phenyl-4-(4-pyridyl)piperazin-4-ium-2-yl]phenyl]ethanone CAS Name: 1-[3-(1-ethyl-3-methoxy-4-phenyl-4-pyridin-4-yl-2-piperazin-4-iumyl)phenyl]ethanone IUPAC Name: 1-[3-(1-ethyl-3-methoxy-4-phenyl-4-pyridin-4-ylpiperazin-4-ium-2-yl)phenyl]ethanone Traditional Name: 1-[3-[1-ethyl-3-methoxy-4-phenyl-4-(4-pyridyl)piperazin-4-ium-2-yl]phenyl]ethanone Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](C(C1C2=CC=CC(=C2)C(=O)C)OC)(C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1CC[N+](C(C1C2=CC=CC(=C2)C(=O)C)OC)(C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C26H30N3O2/c1-4-28-17-18-29(23-11-6-5-7-12-23,24-13-15-27-16-14-24)26(31-3)25(28)22-10-8-9-21(19-22)20(2)30/h5-16,19,25-26H,4,17-18H2,1-3H3/q+1